1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

C24H19ClN4O4 — CID 90563377

About 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide

1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 90563377) has the molecular formula C24H19ClN4O4 and a molecular weight of 462.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 90563377
• Molecular Formula: C24H19ClN4O4
• Molecular Weight: 462.89 g/mol
• Exact Mass: 462.11
• IUPAC Name: 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1CC(=O)N(c2ccc(Cl)cc2)C1
• InChI: InChI=1S/C24H19ClN4O4/c25-17-7-9-18(10-8-17)29-14-16(13-22(29)30)24(31)26-19-5-2-1-4-15(19)12-21-27-23(28-33-21)20-6-3-11-32-20/h1-11,16H,12-14H2,(H,26,31)
• InChIKey: NKOGMVHAKSWGHZ-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.89
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 90563377) is 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1CC(=O)N(c2ccc(Cl)cc2)C1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is NKOGMVHAKSWGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O4/c25-17-7-9-18(10-8-17)29-14-16(13-22(29)30)24(31)26-19-5-2-1-4-15(19)12-21-27-23(28-33-21)20-6-3-11-32-20/h1-11,16H,12-14H2,(H,26,31).

What are the key properties of 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide?

1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 462.89 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90563377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).