SDF/Mol File of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (C20H20FN3O3)

Structure Data File (SDF/MOL File) Description

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Additional Information for Identifying N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide Molecule

• Chemical structure of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

  By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is available in chemical structure page of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-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.

• Molecular weight of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

  The molecular weight of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is available in molecular weight page of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-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.

• Chemical formula of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

  The chemical formula of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is given in chemical formula page of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• InChI (IUPAC International Chemical Identifier) information of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

  An alternative way of expressing structural information in text format is InChI. The full standard InChI of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is:

  InChI=1S/C20H20FN3O3/c21-15-7-5-14(6-8-15)17(24-9-1-2-10-24)13-22-20(25)16-12-19(27-23-16)18-4-3-11-26-18/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)

  It can provide a standard way to encode the molecular information of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-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 N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is:

  InChIKey=BTKPCIGSASQRAZ-UHFFFAOYSA-N

  The InChIKey may allow easier web searches for N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide, but it needs to be linked to the full InChI to get back to the original structure of the N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide since the full standard InChI cannot be reconstructed from the InChIKey.

• Other names (synonyms) or registry numbers of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide

  The N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide including the registry numbers are listed below, if available:

  
  
  None available.

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N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide Identification Summary Frequently Asked Questions (FAQs)

What’s the N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide formula?
C20H20FN3O3
How many atoms and what elements are included in the N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide molecule?
47 atom(s) - 20 Hydrogen atom(s), 20 Carbon atom(s), 3 Nitrogen atom(s), 3 Oxygen atom(s), and 1 Fluorine atom(s)
How many chemical bonds and what kind of bonds are in the N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide structure?
50 bond(s) - 30 non-H bond(s), 17 multiple bond(s), 6 rotatable bond(s), 1 double bond(s), 16 aromatic bond(s), 3 five-membered ring(s), 1 six-membered ring(s), 1 secondary amide(s) (aromatic), 1 tertiary amine(s) (aliphatic), 1 Pyrrolidine(s), 1 Furane(s), and 1 Isoxazole(s)
What’s the N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide’s molar mass?
369.389503 g/mol
What’s the SMILES structure of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
Fc1ccc(cc1)C(CNC(=O)c2cc(on2)c3ccco3)N4CCCC4
What’s the InChI code of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
InChI=1S/C20H20FN3O3/c21-15-7-5-14(6-8-15)17(24-9-1-2-10-24)13-22-20(25)16-12-19(27-23-16)18-4-3-11-26-18/h3-8,11-12,17H,1-2,9-10,13H2,(H,22,25)
What’s the InChIKey format of N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
BTKPCIGSASQRAZ-UHFFFAOYSA-N

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commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).