3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

C108H87Br2Cl6N13O14 — CID 158528265

About 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 158528265) has the molecular formula C108H87Br2Cl6N13O14 and a molecular weight of 2163.49 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
• PubChem CID: 158528265
• Molecular Formula: C108H87Br2Cl6N13O14
• Molecular Weight: 2163.49 g/mol
• Exact Mass: 2157.30
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
• SMILES: CCc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)cn1.O=C(CCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2cccc(Br)c2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C20H20N2O2.C19H18N2O2.C18H16N2O2.2C17H11BrCl2N2O2.C17H11Cl2N3O4/c1-3-15-5-8-16(9-6-15)19-12-18(24-22-19)10-11-20(23)17-7-4-14(2)21-13-17;1-13-3-6-15(7-4-13)18-11-17(23-21-18)9-10-19(22)16-8-5-14(2)20-12-16;1-13-7-8-15(12-19-13)18(21)10-9-16-11-17(20-22-16)14-5-3-2-4-6-14;18-11-3-1-2-10(6-11)15-8-13(24-22-15)4-5-16(23)14-7-12(19)9-21-17(14)20;18-14-4-2-1-3-12(14)15-8-11(24-22-15)5-6-16(23)13-7-10(19)9-21-17(13)20;18-11-7-14(17(19)20-9-11)16(23)6-5-13-8-15(21-26-13)10-1-3-12(4-2-10)22(24)25/h4-9,12-13H,3,10-11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-8,11-12H,9-10H2,1H3;1-3,6-9H,4-5H2;1-4,7-9H,5-6H2;1-4,7-9H,5-6H2
• InChIKey: HNAYYHHQOWVRGC-UHFFFAOYSA-N
• XLogP: 28.46
• TPSA: 379.08 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2163.49
LogP ≤ 5	28.46
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-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?

The IUPAC name of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (CID 158528265) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one.

What is the SMILES notation for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?

The canonical SMILES for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is CCc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)cn1.O=C(CCc1cc(-c2ccc([N+](=O)[O-])cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2cccc(Br)c2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl.

What is the InChIKey of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?

The InChIKey is HNAYYHHQOWVRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C19H18N2O2.C18H16N2O2.2C17H11BrCl2N2O2.C17H11Cl2N3O4/c1-3-15-5-8-16(9-6-15)19-12-18(24-22-19)10-11-20(23)17-7-4-14(2)21-13-17;1-13-3-6-15(7-4-13)18-11-17(23-21-18)9-10-19(22)16-8-5-14(2)20-12-16;1-13-7-8-15(12-19-13)18(21)10-9-16-11-17(20-22-16)14-5-3-2-4-6-14;18-11-3-1-2-10(6-11)15-8-13(24-22-15)4-5-16(23)14-7-12(19)9-21-17(14)20;18-14-4-2-1-3-12(14)15-8-11(24-22-15)5-6-16(23)13-7-10(19)9-21-17(13)20;18-11-7-14(17(19)20-9-11)16(23)6-5-13-8-15(21-26-13)10-1-3-12(4-2-10)22(24)25/h4-9,12-13H,3,10-11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-8,11-12H,9-10H2,1H3;1-3,6-9H,4-5H2;1-4,7-9H,5-6H2;1-4,7-9H,5-6H2.

What are the key properties of 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one?

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 2163.49 g/mol, XLogP of 28.46, 32 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-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;3-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 158528265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).