N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C20H18ClN5O3 — CID 131891650

About N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 131891650) has the molecular formula C20H18ClN5O3 and a molecular weight of 411.85 g/mol. Its IUPAC name is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 131891650
• Molecular Formula: C20H18ClN5O3
• Molecular Weight: 411.85 g/mol
• Exact Mass: 411.11
• IUPAC Name: N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: O=C(NCc1nc(-c2ccccc2Cl)no1)C1CC(=O)N(Cc2cccnc2)C1
• InChI: InChI=1S/C20H18ClN5O3/c21-16-6-2-1-5-15(16)19-24-17(29-25-19)10-23-20(28)14-8-18(27)26(12-14)11-13-4-3-7-22-9-13/h1-7,9,14H,8,10-12H2,(H,23,28)
• InChIKey: XKUPNCIGKCJBKS-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.85
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 131891650) is N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1nc(-c2ccccc2Cl)no1)C1CC(=O)N(Cc2cccnc2)C1.

What is the InChIKey of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is XKUPNCIGKCJBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O3/c21-16-6-2-1-5-15(16)19-24-17(29-25-19)10-23-20(28)14-8-18(27)26(12-14)11-13-4-3-7-22-9-13/h1-7,9,14H,8,10-12H2,(H,23,28).

What are the key properties of N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?

N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 411.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131891650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).