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

C110H93BrCl6N12O12 — CID 162124881

About 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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 162124881) has the molecular formula C110H93BrCl6N12O12 and a molecular weight of 2067.65 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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: 162124881
• Molecular Formula: C110H93BrCl6N12O12
• Molecular Weight: 2067.65 g/mol
• Exact Mass: 2062.44
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)cn1.Cc1cccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c1.O=C(CCc1cc(-c2ccccc2Br)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C20H20N2O2.C19H18N2O2.2C18H14Cl2N2O2.C18H16N2O2.C17H11BrCl2N2O2/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;1-11-2-4-12(5-3-11)16-9-14(24-22-16)6-7-17(23)15-8-13(19)10-21-18(15)20;1-11-3-2-4-12(7-11)16-9-14(24-22-16)5-6-17(23)15-8-13(19)10-21-18(15)20;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;18-14-4-2-1-3-12(14)15-8-11(24-22-15)5-6-16(23)13-7-10(19)9-21-17(13)20/h4-9,12-13H,3,10-11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-5,8-10H,6-7H2,1H3;2-4,7-10H,5-6H2,1H3;2-8,11-12H,9-10H2,1H3;1-4,7-9H,5-6H2
• InChIKey: ZHWVPONJQOWKFS-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2067.65
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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 162124881) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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)c3cc(Cl)cnc3Cl)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)cn1.Cc1cccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c1.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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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 ZHWVPONJQOWKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C19H18N2O2.2C18H14Cl2N2O2.C18H16N2O2.C17H11BrCl2N2O2/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;1-11-2-4-12(5-3-11)16-9-14(24-22-16)6-7-17(23)15-8-13(19)10-21-18(15)20;1-11-3-2-4-12(7-11)16-9-14(24-22-16)5-6-17(23)15-8-13(19)10-21-18(15)20;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;18-14-4-2-1-3-12(14)15-8-11(24-22-15)5-6-16(23)13-7-10(19)9-21-17(13)20/h4-9,12-13H,3,10-11H2,1-2H3;3-8,11-12H,9-10H2,1-2H3;2-5,8-10H,6-7H2,1H3;2-4,7-10H,5-6H2,1H3;2-8,11-12H,9-10H2,1H3;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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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 2067.65 g/mol, XLogP of 28.41, 31 rotatable bonds, 0 hydrogen bond donors, and 24 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;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-methylphenyl)-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 162124881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).