(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C21H20ClN3O2 — CID 93492744

About (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 93492744) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• PubChem CID: 93492744
• Molecular Formula: C21H20ClN3O2
• Molecular Weight: 381.86 g/mol
• Exact Mass: 381.12
• IUPAC Name: (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• SMILES: CC(C)c1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1
• InChI: InChI=1S/C21H20ClN3O2/c1-13(2)14-6-8-15(9-7-14)20-23-21(27-24-20)16-10-19(26)25(12-16)18-5-3-4-17(22)11-18/h3-9,11,13,16H,10,12H2,1-2H3/t16-/m1/s1
• InChIKey: QLSSVSVXAWCHKQ-MRXNPFEDSA-N
• XLogP: 5.03
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.86
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 93492744) is (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CC(C)c1ccc(-c2noc([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)n2)cc1.

What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The InChIKey is QLSSVSVXAWCHKQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(2)14-6-8-15(9-7-14)20-23-21(27-24-20)16-10-19(26)25(12-16)18-5-3-4-17(22)11-18/h3-9,11,13,16H,10,12H2,1-2H3/t16-/m1/s1.

What are the key properties of (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 381.86 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 93492744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).