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

C116H100Br2Cl3N17O12 — CID 161148379

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

[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 161148379) has the molecular formula C116H100Br2Cl3N17O12 and a molecular weight of 2190.35 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• PubChem CID: 161148379
• Molecular Formula: C116H100Br2Cl3N17O12
• Molecular Weight: 2190.35 g/mol
• Exact Mass: 2185.52
• IUPAC Name: [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
• SMILES: Cc1ccc(-c2oncc2C(=O)N2CC[C@@H](c3cccnc3)C2)cc1.O=C(c1cnoc1-c1ccc(Br)cc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(Br)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccncc2)C1
• InChI: InChI=1S/C20H17ClN2O2.C20H19N3O2.2C19H16BrN3O2.2C19H16ClN3O2/c21-18-9-5-4-8-16(18)19-17(12-22-25-19)20(24)23-11-10-15(13-23)14-6-2-1-3-7-14;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;3*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;20-17-4-2-1-3-15(17)18-16(11-22-25-18)19(24)23-10-7-14(12-23)13-5-8-21-9-6-13/h1-9,12,15H,10-11,13H2;2-7,9,11-12,17H,8,10,13H2,1H3;3*1-6,8,10-11,15H,7,9,12H2;1-6,8-9,11,14H,7,10,12H2/t;17-;3*15-;/m.1100./s1
• InChIKey: UOIWYGNODRXHNI-JRZIWYKZSA-N
• XLogP: 24.60
• 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	2190.35
LogP ≤ 5	24.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 161148379) is [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone.

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

The canonical SMILES for [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is Cc1ccc(-c2oncc2C(=O)N2CC[C@@H](c3cccnc3)C2)cc1.O=C(c1cnoc1-c1ccc(Br)cc1)N1CC[C@@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(Br)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccc(Cl)cc1)N1CC[C@H](c2cccnc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccncc2)C1.

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

The InChIKey is UOIWYGNODRXHNI-JRZIWYKZSA-N. The full InChI is InChI=1S/C20H17ClN2O2.C20H19N3O2.2C19H16BrN3O2.2C19H16ClN3O2/c21-18-9-5-4-8-16(18)19-17(12-22-25-19)20(24)23-11-10-15(13-23)14-6-2-1-3-7-14;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;3*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;20-17-4-2-1-3-15(17)18-16(11-22-25-18)19(24)23-10-7-14(12-23)13-5-8-21-9-6-13/h1-9,12,15H,10-11,13H2;2-7,9,11-12,17H,8,10,13H2,1H3;3*1-6,8,10-11,15H,7,9,12H2;1-6,8-9,11,14H,7,10,12H2/t;17-;3*15-;/m.1100./s1.

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

[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 2190.35 g/mol, XLogP of 24.60, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-bromophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone;[5-(4-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone;[5-(4-methylphenyl)-1,2-oxazol-4-yl]-[(3S)-3-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 161148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).