[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

C118H112Cl2N18O15 — CID 158612149

About [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 158612149) has the molecular formula C118H112Cl2N18O15 and a molecular weight of 2093.21 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
• PubChem CID: 158612149
• Molecular Formula: C118H112Cl2N18O15
• Molecular Weight: 2093.21 g/mol
• Exact Mass: 2090.79
• IUPAC Name: [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone
• SMILES: CCN(CC)C(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1.Cc1ccc(-c2oncc2C(=O)N2CCCC2c2ccccc2)cc1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccn2)C1
• InChI: InChI=1S/C21H27N3O3.C21H20N2O2.2C19H16ClN3O2.C19H16N4O4.C19H17N3O2/c1-4-23(5-2)20(25)17-7-6-12-24(14-17)21(26)18-13-22-27-19(18)16-10-8-15(3)9-11-16;1-15-9-11-17(12-10-15)20-18(14-22-25-20)21(24)23-13-5-8-19(23)16-6-3-2-4-7-16;20-16-6-2-1-5-14(16)18-15(11-22-25-18)19(24)23-10-8-13(12-23)17-7-3-4-9-21-17;20-15-6-4-13(5-7-15)18-16(11-22-25-18)19(24)23-10-8-14(12-23)17-3-1-2-9-21-17;24-19(22-10-7-15(12-22)13-5-8-20-9-6-13)17-11-21-27-18(17)14-1-3-16(4-2-14)23(25)26;23-19(16-12-21-24-18(16)14-6-2-1-3-7-14)22-11-9-15(13-22)17-8-4-5-10-20-17/h8-11,13,17H,4-7,12,14H2,1-3H3;2-4,6-7,9-12,14,19H,5,8,13H2,1H3;1-7,9,11,13H,8,10,12H2;1-7,9,11,14H,8,10,12H2;1-6,8-9,11,15H,7,10,12H2;1-8,10,12,15H,9,11,13H2
• InChIKey: HWYTYBARWWNWFQ-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 393.05 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2093.21
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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 [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 158612149) is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone.

What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is CCN(CC)C(=O)C1CCCN(C(=O)c2cnoc2-c2ccc(C)cc2)C1.Cc1ccc(-c2oncc2C(=O)N2CCCC2c2ccccc2)cc1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccn2)C1.

What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

The InChIKey is HWYTYBARWWNWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.C21H20N2O2.2C19H16ClN3O2.C19H16N4O4.C19H17N3O2/c1-4-23(5-2)20(25)17-7-6-12-24(14-17)21(26)18-13-22-27-19(18)16-10-8-15(3)9-11-16;1-15-9-11-17(12-10-15)20-18(14-22-25-20)21(24)23-13-5-8-19(23)16-6-3-2-4-7-16;20-16-6-2-1-5-14(16)18-15(11-22-25-18)19(24)23-10-8-13(12-23)17-7-3-4-9-21-17;20-15-6-4-13(5-7-15)18-16(11-22-25-18)19(24)23-10-8-14(12-23)17-3-1-2-9-21-17;24-19(22-10-7-15(12-22)13-5-8-20-9-6-13)17-11-21-27-18(17)14-1-3-16(4-2-14)23(25)26;23-19(16-12-21-24-18(16)14-6-2-1-3-7-14)22-11-9-15(13-22)17-8-4-5-10-20-17/h8-11,13,17H,4-7,12,14H2,1-3H3;2-4,6-7,9-12,14,19H,5,8,13H2,1H3;1-7,9,11,13H,8,10,12H2;1-7,9,11,14H,8,10,12H2;1-6,8-9,11,15H,7,10,12H2;1-8,10,12,15H,9,11,13H2.

What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone?

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 2093.21 g/mol, XLogP of 22.68, 21 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;N,N-diethyl-1-[5-(4-methylphenyl)-1,2-oxazole-4-carbonyl]piperidine-3-carboxamide;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone;[5-(4-nitrophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 158612149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).