3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one

C102H71Br3Cl9N13O14 — CID 158228177

About 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 158228177) has the molecular formula C102H71Br3Cl9N13O14 and a molecular weight of 2261.56 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 158228177
• Molecular Formula: C102H71Br3Cl9N13O14
• Molecular Weight: 2261.56 g/mol
• Exact Mass: 2253.00
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: O=C(CCc1cc(-c2ccc(Br)cc2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2cccc(Br)c2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl
• InChI: InChI=1S/3C17H12BrClN2O2.C17H11Cl3N2O2.C17H12Cl2N2O2.C17H12ClN3O4/c18-12-4-1-3-11(9-12)15-10-13(23-21-15)6-7-16(22)14-5-2-8-20-17(14)19;18-12-5-3-11(4-6-12)15-10-13(23-21-15)7-8-16(22)14-2-1-9-20-17(14)19;18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19;18-10-3-5-12(14(19)8-10)15-9-11(24-22-15)4-6-16(23)13-2-1-7-21-17(13)20;18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19;18-17-14(2-1-9-19-17)16(22)8-7-13-10-15(20-25-13)11-3-5-12(6-4-11)21(23)24/h1-5,8-10H,6-7H2;2*1-6,9-10H,7-8H2;1-3,5,7-9H,4,6H2;1-6,9-10H,7-8H2;1-6,9-10H,7-8H2
• InChIKey: GEBCFKQALHRGBF-UHFFFAOYSA-N
• XLogP: 29.39
• TPSA: 379.08 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 31
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.56
LogP ≤ 5	29.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one (CID 158228177) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one.

What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one?

The canonical SMILES for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one is O=C(CCc1cc(-c2ccc(Br)cc2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2cccc(Br)c2)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Br)no1)c1cccnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cccnc1Cl.

What is the InChIKey of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is GEBCFKQALHRGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H12BrClN2O2.C17H11Cl3N2O2.C17H12Cl2N2O2.C17H12ClN3O4/c18-12-4-1-3-11(9-12)15-10-13(23-21-15)6-7-16(22)14-5-2-8-20-17(14)19;18-12-5-3-11(4-6-12)15-10-13(23-21-15)7-8-16(22)14-2-1-9-20-17(14)19;18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19;18-10-3-5-12(14(19)8-10)15-9-11(24-22-15)4-6-16(23)13-2-1-7-21-17(13)20;18-14-6-2-1-4-12(14)15-10-11(23-21-15)7-8-16(22)13-5-3-9-20-17(13)19;18-17-14(2-1-9-19-17)16(22)8-7-13-10-15(20-25-13)11-3-5-12(6-4-11)21(23)24/h1-5,8-10H,6-7H2;2*1-6,9-10H,7-8H2;1-3,5,7-9H,4,6H2;1-6,9-10H,7-8H2;1-6,9-10H,7-8H2.

What are the key properties of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one?

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2261.56 g/mol, XLogP of 29.39, 31 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2-chloro-3-pyridinyl)propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2-chloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 158228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).