[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone

C117H104Cl2N16O12 — CID 158234501

About [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone

[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 158234501) has the molecular formula C117H104Cl2N16O12 and a molecular weight of 1997.12 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• PubChem CID: 158234501
• Molecular Formula: C117H104Cl2N16O12
• Molecular Weight: 1997.12 g/mol
• Exact Mass: 1994.74
• IUPAC Name: [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccn3)C2)cc1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccccc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CC[C@H](c2cccnc2)C1
• InChI: InChI=1S/C20H17ClN2O2.C20H19N3O2.C20H18N2O2.C19H16ClN3O2.2C19H17N3O2/c21-17-8-6-15(7-9-17)19-18(12-22-25-19)20(24)23-11-10-16(13-23)14-4-2-1-3-5-14;1-14-5-7-15(8-6-14)19-17(12-22-25-19)20(24)23-11-9-16(13-23)18-4-2-3-10-21-18;23-20(18-13-21-24-19(18)16-9-5-2-6-10-16)22-12-11-17(14-22)15-7-3-1-4-8-15;20-16-5-3-13(4-6-16)18-17(11-22-25-18)19(24)23-9-7-15(12-23)14-2-1-8-21-10-14;2*23-19(17-12-21-24-18(17)14-5-2-1-3-6-14)22-10-8-16(13-22)15-7-4-9-20-11-15/h1-9,12,16H,10-11,13H2;2-8,10,12,16H,9,11,13H2,1H3;1-10,13,17H,11-12,14H2;1-6,8,10-11,15H,7,9,12H2;2*1-7,9,11-12,16H,8,10,13H2/t;;;;2*16-/m....10/s1
• InChIKey: GEUITOKEIWWJCR-FOEQUNCCSA-N
• XLogP: 23.02
• TPSA: 329.60 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1997.12
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

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

The IUPAC name of [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 158234501) is [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

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

The canonical SMILES for [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccn3)C2)cc1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccccc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1)N1CC[C@H](c2cccnc2)C1.

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

The InChIKey is GEUITOKEIWWJCR-FOEQUNCCSA-N. The full InChI is InChI=1S/C20H17ClN2O2.C20H19N3O2.C20H18N2O2.C19H16ClN3O2.2C19H17N3O2/c21-17-8-6-15(7-9-17)19-18(12-22-25-19)20(24)23-11-10-16(13-23)14-4-2-1-3-5-14;1-14-5-7-15(8-6-14)19-17(12-22-25-19)20(24)23-11-9-16(13-23)18-4-2-3-10-21-18;23-20(18-13-21-24-19(18)16-9-5-2-6-10-16)22-12-11-17(14-22)15-7-3-1-4-8-15;20-16-5-3-13(4-6-16)18-17(11-22-25-18)19(24)23-9-7-15(12-23)14-2-1-8-21-10-14;2*23-19(17-12-21-24-18(17)14-5-2-1-3-6-14)22-10-8-16(13-22)15-7-4-9-20-11-15/h1-9,12,16H,10-11,13H2;2-8,10,12,16H,9,11,13H2,1H3;1-10,13,17H,11-12,14H2;1-6,8,10-11,15H,7,9,12H2;2*1-7,9,11-12,16H,8,10,13H2/t;;;;2*16-/m....10/s1.

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

[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 1997.12 g/mol, XLogP of 23.02, 18 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;(5-phenyl-1,2-oxazol-4-yl)-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 158234501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).