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

C118H106Cl3N17O12 — CID 162248253

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

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 162248253) has the molecular formula C118H106Cl3N17O12 and a molecular weight of 2060.61 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• PubChem CID: 162248253
• Molecular Formula: C118H106Cl3N17O12
• Molecular Weight: 2060.61 g/mol
• Exact Mass: 2057.73
• IUPAC Name: [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CC[C@@H](c3cccnc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CC[C@H](c3cccnc3)C2)cc1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1
• InChI: InChI=1S/C21H20N2O2.2C20H19N3O2.3C19H16ClN3O2/c1-15-7-9-17(10-8-15)20-19(13-22-25-20)21(24)23-12-11-18(14-23)16-5-3-2-4-6-16;2*1-14-4-6-15(7-5-14)19-18(12-22-25-19)20(24)23-10-8-17(13-23)16-3-2-9-21-11-16;2*20-16-5-1-3-13(9-16)18-17(11-22-25-18)19(24)23-8-6-15(12-23)14-4-2-7-21-10-14;20-16-3-1-2-14(10-16)18-17(11-22-25-18)19(24)23-9-6-15(12-23)13-4-7-21-8-5-13/h2-10,13,18H,11-12,14H2,1H3;2*2-7,9,11-12,17H,8,10,13H2,1H3;2*1-5,7,9-11,15H,6,8,12H2;1-5,7-8,10-11,15H,6,9,12H2/t;2*17-;2*15-;/m.1010./s1
• InChIKey: ZXQFESSJJLDGPA-BXCCOVPDSA-N
• XLogP: 23.69
• TPSA: 342.49 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2060.61
LogP ≤ 5	23.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 162248253) is [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

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

The canonical SMILES for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CCC(c3ccccc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CC[C@@H](c3cccnc3)C2)cc1.Cc1ccc(-c2oncc2C(=O)N2CC[C@H](c3cccnc3)C2)cc1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CCC(c2ccncc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1.

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

The InChIKey is ZXQFESSJJLDGPA-BXCCOVPDSA-N. The full InChI is InChI=1S/C21H20N2O2.2C20H19N3O2.3C19H16ClN3O2/c1-15-7-9-17(10-8-15)20-19(13-22-25-20)21(24)23-12-11-18(14-23)16-5-3-2-4-6-16;2*1-14-4-6-15(7-5-14)19-18(12-22-25-19)20(24)23-10-8-17(13-23)16-3-2-9-21-11-16;2*20-16-5-1-3-13(9-16)18-17(11-22-25-18)19(24)23-8-6-15(12-23)14-4-2-7-21-10-14;20-16-3-1-2-14(10-16)18-17(11-22-25-18)19(24)23-9-6-15(12-23)13-4-7-21-8-5-13/h2-10,13,18H,11-12,14H2,1H3;2*2-7,9,11-12,17H,8,10,13H2,1H3;2*1-5,7,9-11,15H,6,8,12H2;1-5,7-8,10-11,15H,6,9,12H2/t;2*17-;2*15-;/m.1010./s1.

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

[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 2060.61 g/mol, XLogP of 23.69, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 162248253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).