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

C102H65BrCl16F2N12O12 — CID 157123250

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

3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 157123250) has the molecular formula C102H65BrCl16F2N12O12 and a molecular weight of 2335.86 g/mol. Its IUPAC name is 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 157123250
• Molecular Formula: C102H65BrCl16F2N12O12
• Molecular Weight: 2335.86 g/mol
• Exact Mass: 2325.90
• IUPAC Name: 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: O=C(CCc1cc(-c2ccc(Br)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2F)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C17H11BrCl2N2O2.C17H10Cl4N2O2.2C17H11Cl3N2O2.2C17H11Cl2FN2O2/c18-11-3-1-10(2-4-11)15-8-13(24-22-15)5-6-16(23)14-7-12(19)9-21-17(14)20;18-9-1-3-12(14(20)6-9)15-7-11(25-23-15)2-4-16(24)13-5-10(19)8-22-17(13)21;18-11-3-1-10(2-4-11)15-8-13(24-22-15)5-6-16(23)14-7-12(19)9-21-17(14)20;18-10-7-13(17(20)21-9-10)16(23)6-5-11-8-15(22-24-11)12-3-1-2-4-14(12)19;18-11-7-14(17(19)21-9-11)16(23)6-5-13-8-15(22-24-13)10-1-3-12(20)4-2-10;18-10-7-13(17(19)21-9-10)16(23)6-5-11-8-15(22-24-11)12-3-1-2-4-14(12)20/h1-4,7-9H,5-6H2;1,3,5-8H,2,4H2;4*1-4,7-9H,5-6H2
• InChIKey: AIFLFHWIOSNGAI-UHFFFAOYSA-N
• XLogP: 32.81
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2335.86
LogP ≤ 5	32.81
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-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one (CID 157123250) is 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one.

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

The canonical SMILES for 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one is O=C(CCc1cc(-c2ccc(Br)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(Cl)cc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccc(F)cc2)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2Cl)no1)c1cc(Cl)cnc1Cl.O=C(CCc1cc(-c2ccccc2F)no1)c1cc(Cl)cnc1Cl.

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

The InChIKey is AIFLFHWIOSNGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2O2.C17H10Cl4N2O2.2C17H11Cl3N2O2.2C17H11Cl2FN2O2/c18-11-3-1-10(2-4-11)15-8-13(24-22-15)5-6-16(23)14-7-12(19)9-21-17(14)20;18-9-1-3-12(14(20)6-9)15-7-11(25-23-15)2-4-16(24)13-5-10(19)8-22-17(13)21;18-11-3-1-10(2-4-11)15-8-13(24-22-15)5-6-16(23)14-7-12(19)9-21-17(14)20;18-10-7-13(17(20)21-9-10)16(23)6-5-11-8-15(22-24-11)12-3-1-2-4-14(12)19;18-11-7-14(17(19)21-9-11)16(23)6-5-13-8-15(22-24-13)10-1-3-12(20)4-2-10;18-10-7-13(17(19)21-9-10)16(23)6-5-11-8-15(22-24-11)12-3-1-2-4-14(12)20/h1-4,7-9H,5-6H2;1,3,5-8H,2,4H2;4*1-4,7-9H,5-6H2.

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

3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2335.86 g/mol, XLogP of 32.81, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 157123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).