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

C60H52BrCl2N7O6 — CID 160702405

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

[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 160702405) has the molecular formula C60H52BrCl2N7O6 and a molecular weight of 1117.93 g/mol. Its IUPAC name is [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

• Compound Name: [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
• PubChem CID: 160702405
• Molecular Formula: C60H52BrCl2N7O6
• Molecular Weight: 1117.93 g/mol
• Exact Mass: 1115.25
• IUPAC Name: [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
• SMILES: O=C(c1cnoc1-c1ccc(Br)cc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)CC1.O=C(c1cnoc1-c1ccccc1Cl)N1CCCC1c1ccccc1
• InChI: InChI=1S/C21H19ClN2O2.C20H17ClN2O2.C19H16BrN3O2/c22-19-9-5-4-8-17(19)20-18(14-23-26-20)21(25)24-12-10-16(11-13-24)15-6-2-1-3-7-15;21-17-10-5-4-9-15(17)19-16(13-22-25-19)20(24)23-12-6-11-18(23)14-7-2-1-3-8-14;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/h1-9,14,16H,10-13H2;1-5,7-10,13,18H,6,11-12H2;1-7,9,11,14H,8,10,12H2
• InChIKey: RQUDZKLTFUFNTI-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 151.91 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.93
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (CID 160702405) is [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.

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

The canonical SMILES for [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cnoc1-c1ccc(Br)cc1)N1CCC(c2ccccn2)C1.O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2)CC1.O=C(c1cnoc1-c1ccccc1Cl)N1CCCC1c1ccccc1.

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

The InChIKey is RQUDZKLTFUFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2.C20H17ClN2O2.C19H16BrN3O2/c22-19-9-5-4-8-17(19)20-18(14-23-26-20)21(25)24-12-10-16(11-13-24)15-6-2-1-3-7-15;21-17-10-5-4-9-15(17)19-16(13-22-25-19)20(24)23-12-6-11-18(23)14-7-2-1-3-8-14;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/h1-9,14,16H,10-13H2;1-5,7-10,13,18H,6,11-12H2;1-7,9,11,14H,8,10,12H2.

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

[5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 1117.93 g/mol, XLogP of 14.12, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(4-bromophenyl)-1,2-oxazol-4-yl]-(3-pyridin-2-ylpyrrolidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(4-phenylpiperidin-1-yl)methanone;[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 160702405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).