(3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

C80H69Cl3N10O10 — CID 158830810

About (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone

(3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 158830810) has the molecular formula C80H69Cl3N10O10 and a molecular weight of 1436.85 g/mol. Its IUPAC name is (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
• PubChem CID: 158830810
• Molecular Formula: C80H69Cl3N10O10
• Molecular Weight: 1436.85 g/mol
• Exact Mass: 1434.43
• IUPAC Name: (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
• SMILES: O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)C1.O=C(c1cnoc1-c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCCC1c1ccccc1
• InChI: InChI=1S/C21H19ClN2O2.C20H17ClN2O2.C20H17N3O4.C19H16ClN3O2/c22-18-8-6-17(7-9-18)20-19(13-23-26-20)21(25)24-11-10-16(14-24)12-15-4-2-1-3-5-15;21-16-9-4-8-15(12-16)19-17(13-22-25-19)20(24)23-11-5-10-18(23)14-6-2-1-3-7-14;24-20(22-11-10-16(13-22)14-4-2-1-3-5-14)18-12-21-27-19(18)15-6-8-17(9-7-15)23(25)26;20-15-5-3-4-13(10-15)18-16(11-22-25-18)19(24)23-9-7-14(12-23)17-6-1-2-8-21-17/h1-9,13,16H,10-12,14H2;1-4,6-9,12-13,18H,5,10-11H2;1-9,12,16H,10-11,13H2;1-6,8,10-11,14H,7,9,12H2
• InChIKey: OMTVJCOVPDFRDN-UHFFFAOYSA-N
• XLogP: 17.57
• TPSA: 241.39 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.85
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?

The IUPAC name of (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone (CID 158830810) is (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone.

What is the SMILES notation for (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?

The canonical SMILES for (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)C1.O=C(c1cnoc1-c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCCC1c1ccccc1.

What is the InChIKey of (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?

The InChIKey is OMTVJCOVPDFRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2.C20H17ClN2O2.C20H17N3O4.C19H16ClN3O2/c22-18-8-6-17(7-9-18)20-19(13-23-26-20)21(25)24-11-10-16(14-24)12-15-4-2-1-3-5-15;21-16-9-4-8-15(12-16)19-17(13-22-25-19)20(24)23-11-5-10-18(23)14-6-2-1-3-7-14;24-20(22-11-10-16(13-22)14-4-2-1-3-5-14)18-12-21-27-19(18)15-6-8-17(9-7-15)23(25)26;20-15-5-3-4-13(10-15)18-16(11-22-25-18)19(24)23-9-7-14(12-23)17-6-1-2-8-21-17/h1-9,13,16H,10-12,14H2;1-4,6-9,12-13,18H,5,10-11H2;1-9,12,16H,10-11,13H2;1-6,8,10-11,14H,7,9,12H2.

What are the key properties of (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone?

(3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 1436.85 g/mol, XLogP of 17.57, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (3-benzylpyrrolidin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-4-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 158830810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).