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

C21H19ClN4O3 — CID 92723644

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

(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92723644) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 92723644
• Molecular Formula: C21H19ClN4O3
• Molecular Weight: 410.86 g/mol
• Exact Mass: 410.11
• IUPAC Name: (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: Cc1nc(-c2cccc(N3C[C@@H](C(=O)NCc4ccccc4Cl)CC3=O)c2)no1
• InChI: InChI=1S/C21H19ClN4O3/c1-13-24-20(25-29-13)14-6-4-7-17(9-14)26-12-16(10-19(26)27)21(28)23-11-15-5-2-3-8-18(15)22/h2-9,16H,10-12H2,1H3,(H,23,28)/t16-/m0/s1
• InChIKey: CELFAVAOUUHFOV-INIZCTEOSA-N
• XLogP: 3.37
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.86
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92723644) is (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is Cc1nc(-c2cccc(N3C[C@@H](C(=O)NCc4ccccc4Cl)CC3=O)c2)no1.

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

The InChIKey is CELFAVAOUUHFOV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13-24-20(25-29-13)14-6-4-7-17(9-14)26-12-16(10-19(26)27)21(28)23-11-15-5-2-3-8-18(15)22/h2-9,16H,10-12H2,1H3,(H,23,28)/t16-/m0/s1.

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

(3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92723644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).