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

C111H98Br3N13O14 — CID 158071726

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

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 158071726) has the molecular formula C111H98Br3N13O14 and a molecular weight of 2077.79 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 158071726
• Molecular Formula: C111H98Br3N13O14
• Molecular Weight: 2077.79 g/mol
• Exact Mass: 2073.49
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3cccc(Br)c3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Br)no2)cn1
• InChI: InChI=1S/C20H20N2O2.C19H18N2O2.3C18H15BrN2O2.C18H15N3O4/c1-13-4-7-16(8-5-13)19-12-17(24-22-19)9-11-20(23)18-10-6-14(2)21-15(18)3;1-13-8-10-17(14(2)20-13)19(22)11-9-16-12-18(21-23-16)15-6-4-3-5-7-15;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-5-6-14(11-20-12)18(22)8-7-16-10-17(21-23-16)13-3-2-4-15(19)9-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19;1-12-2-3-14(11-19-12)18(22)9-8-16-10-17(20-25-16)13-4-6-15(7-5-13)21(23)24/h4-8,10,12H,9,11H2,1-3H3;3-8,10,12H,9,11H2,1-2H3;2-7,10-11H,8-9H2,1H3;2-6,9-11H,7-8H2,1H3;2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9H2,1H3
• InChIKey: FLWYLSFNIHDQQE-UHFFFAOYSA-N
• XLogP: 26.28
• 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	2077.79
LogP ≤ 5	26.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one (CID 158071726) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one is Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3cccc(Br)c3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Br)no2)cn1.

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

The InChIKey is FLWYLSFNIHDQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C19H18N2O2.3C18H15BrN2O2.C18H15N3O4/c1-13-4-7-16(8-5-13)19-12-17(24-22-19)9-11-20(23)18-10-6-14(2)21-15(18)3;1-13-8-10-17(14(2)20-13)19(22)11-9-16-12-18(21-23-16)15-6-4-3-5-7-15;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-5-6-14(11-20-12)18(22)8-7-16-10-17(21-23-16)13-3-2-4-15(19)9-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19;1-12-2-3-14(11-19-12)18(22)9-8-16-10-17(20-25-16)13-4-6-15(7-5-13)21(23)24/h4-8,10,12H,9,11H2,1-3H3;3-8,10,12H,9,11H2,1-2H3;2-7,10-11H,8-9H2,1H3;2-6,9-11H,7-8H2,1H3;2-7,10-11H,8-9H2,1H3;2-7,10-11H,8-9H2,1H3.

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

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2077.79 g/mol, XLogP of 26.28, 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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 158071726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).