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

C118H102Br3Cl2N13O15 — CID 158586785

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

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (PubChem CID 158586785) has the molecular formula C118H102Br3Cl2N13O15 and a molecular weight of 2252.81 g/mol. Its IUPAC name is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-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-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
• PubChem CID: 158586785
• Molecular Formula: C118H102Br3Cl2N13O15
• Molecular Weight: 2252.81 g/mol
• Exact Mass: 2247.45
• IUPAC Name: 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one
• SMILES: Cc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3Cl)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3cccc(Br)c3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Br)no2)c(C)n1.O=C(CCc1cc(-c2ccccc2)no1)c1ccc(Oc2ccccc2)nc1
• InChI: InChI=1S/C23H18N2O3.3C19H17BrN2O2.C19H16Cl2N2O2.C19H17N3O4/c26-22(13-12-20-15-21(25-28-20)17-7-3-1-4-8-17)18-11-14-23(24-16-18)27-19-9-5-2-6-10-19;1-12-3-9-17(13(2)21-12)19(23)10-8-16-11-18(22-24-16)14-4-6-15(20)7-5-14;1-12-6-8-17(13(2)21-12)19(23)9-7-16-11-18(22-24-16)14-4-3-5-15(20)10-14;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20;1-11-3-6-15(12(2)22-11)19(24)8-5-14-10-18(23-25-14)16-7-4-13(20)9-17(16)21;1-12-3-9-17(13(2)20-12)19(23)10-8-16-11-18(21-26-16)14-4-6-15(7-5-14)22(24)25/h1-11,14-16H,12-13H2;3-7,9,11H,8,10H2,1-2H3;3-6,8,10-11H,7,9H2,1-2H3;3-7,9,11H,8,10H2,1-2H3;3-4,6-7,9-10H,5,8H2,1-2H3;3-7,9,11H,8,10H2,1-2H3
• InChIKey: HTXTXNNDYHTTFO-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 388.31 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 33
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2252.81
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

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-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-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-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one (CID 158586785) is 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-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-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-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-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is Cc1ccc(C(=O)CCc2cc(-c3ccc(Br)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3Cl)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3cccc(Br)c3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Br)no2)c(C)n1.O=C(CCc1cc(-c2ccccc2)no1)c1ccc(Oc2ccccc2)nc1.

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

The InChIKey is HTXTXNNDYHTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.3C19H17BrN2O2.C19H16Cl2N2O2.C19H17N3O4/c26-22(13-12-20-15-21(25-28-20)17-7-3-1-4-8-17)18-11-14-23(24-16-18)27-19-9-5-2-6-10-19;1-12-3-9-17(13(2)21-12)19(23)10-8-16-11-18(22-24-16)14-4-6-15(20)7-5-14;1-12-6-8-17(13(2)21-12)19(23)9-7-16-11-18(22-24-16)14-4-3-5-15(20)10-14;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20;1-11-3-6-15(12(2)22-11)19(24)8-5-14-10-18(23-25-14)16-7-4-13(20)9-17(16)21;1-12-3-9-17(13(2)20-12)19(23)10-8-16-11-18(21-26-16)14-4-6-15(7-5-14)22(24)25/h1-11,14-16H,12-13H2;3-7,9,11H,8,10H2,1-2H3;3-6,8,10-11H,7,9H2,1-2H3;3-7,9,11H,8,10H2,1-2H3;3-4,6-7,9-10H,5,8H2,1-2H3;3-7,9,11H,8,10H2,1-2H3.

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

3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 2252.81 g/mol, XLogP of 29.69, 33 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(3-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(6-phenoxy-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 158586785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).