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

C23H21ClN4O3 — CID 92746758

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

(3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 92746758) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 92746758
• Molecular Formula: C23H21ClN4O3
• Molecular Weight: 436.90 g/mol
• Exact Mass: 436.13
• IUPAC Name: (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1
• InChI: InChI=1S/C23H21ClN4O3/c24-17-7-3-8-18(12-17)25-22(30)16-11-20(29)28(13-16)19-9-2-6-15(10-19)21-26-23(31-27-21)14-4-1-5-14/h2-3,6-10,12,14,16H,1,4-5,11,13H2,(H,25,30)/t16-/m1/s1
• InChIKey: AIPSMKOSCIGCKT-MRXNPFEDSA-N
• XLogP: 4.65
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.90
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 92746758) is (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(-c3noc(C4CCC4)n3)c2)C1.

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

The InChIKey is AIPSMKOSCIGCKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c24-17-7-3-8-18(12-17)25-22(30)16-11-20(29)28(13-16)19-9-2-6-15(10-19)21-26-23(31-27-21)14-4-1-5-14/h2-3,6-10,12,14,16H,1,4-5,11,13H2,(H,25,30)/t16-/m1/s1.

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

(3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(3-chlorophenyl)-1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92746758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).