SDF/Mol File of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (C20H19N3O4)
Identification of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide Chemical Compound
![2D chemical structure image of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide](http://static.molinstincts.com/compound_common/5-furan-2-yl-N-1S-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl-1-2-oxazole-3-2D-structure-CT1060637001.png)
| Chemical Formula | C20H19N3O4 |
|---|---|
| Molecular Weight | 365.38256 g/mol |
| IUPAC Name | 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide |
| SMILES String | O=C(NC(C(=O)N1CCCC1)c2ccccc2)c3cc(on3)c4ccco4 |
| InChI | InChI=1S/C20H19N3O4/c24-19(15-13-17(27-22-15)16-9-6-12-26-16)21-18(14-7-2-1-3-8-14)20(25)23-10-4-5-11-23/h1-3,6-9,12-13,18H,4-5,10-11H2,(H,21,24)/t18-/m0/s1 |
| InChIKey | YQTVEKHXKFVLGR-SFHVURJKSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
![3D chemical structure image of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide](http://static.molinstincts.com/compound_3d/5-furan-2-yl-N-1S-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl-1-2-oxazole-3-3D-structure-CT1060637001.png)
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Additional Information for Identifying 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide Molecule
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Chemical structure of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is available in chemical structure page of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
The molecular weight of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is available in molecular weight page of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
The chemical formula of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is given in chemical formula page of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is:
InChI=1S/C20H19N3O4/c24-19(15-13-17(27-22-15)16-9-6-12-26-16)21-18(14-7-2-1-3-8-14)20(25)23-10-4-5-11-23/h1-3,6-9,12-13,18H,4-5,10-11H2,(H,21,24)/t18-/m0/s1
It can provide a standard way to encode the molecular information of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is:
InChIKey=YQTVEKHXKFVLGR-SFHVURJKSA-N
The InChIKey may allow easier web searches for 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
The 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide including the registry numbers are listed below, if available:
None available.
5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide Identification Summary Frequently Asked Questions (FAQs)
| What’s the 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide formula? |
|---|
| C20H19N3O4 |
| How many atoms and what elements are included in the 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide molecule? |
| 46 atom(s) - 19 Hydrogen atom(s), 20 Carbon atom(s), 3 Nitrogen atom(s), and 4 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are in the 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide structure? |
| 49 bond(s) - 30 non-H bond(s), 18 multiple bond(s), 5 rotatable bond(s), 2 double bond(s), 16 aromatic bond(s), 3 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aromatic), 1 tertiary amide(s) (aliphatic), 1 Pyrrolidine(s), 1 Furane(s), and 1 Isoxazole(s) |
| What’s the 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide’s molar mass? |
| 365.38256 g/mol |
| What’s the SMILES structure of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide? |
| O=C(NC(C(=O)N1CCCC1)c2ccccc2)c3cc(on3)c4ccco4 |
| What’s the InChI code of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide? |
| InChI=1S/C20H19N3O4/c24-19(15-13-17(27-22-15)16-9-6-12-26-16)21-18(14-7-2-1-3-8-14)20(25)23-10-4-5-11-23/h1-3,6-9,12-13,18H,4-5,10-11H2,(H,21,24)/t18-/m0/s1 |
| What’s the InChIKey format of 5-(furan-2-yl)-N-[(1S)-2-oxo-1-phenyl-2-(pyrrolidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide? |
| YQTVEKHXKFVLGR-SFHVURJKSA-N |
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