3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

C95H80Cl10N10O10 — CID 157192712

About 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one

3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (PubChem CID 157192712) has the molecular formula C95H80Cl10N10O10 and a molecular weight of 1876.27 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 157192712
• Molecular Formula: C95H80Cl10N10O10
• Molecular Weight: 1876.27 g/mol
• Exact Mass: 1870.29
• IUPAC Name: 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one
• SMILES: CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C21H20Cl2N2O2.C20H18Cl2N2O2.C19H16Cl2N2O2.C18H14Cl2N2O2.C17H12Cl2N2O2/c1-21(2,3)14-6-4-13(5-7-14)18-11-16(27-25-18)8-9-19(26)17-10-15(22)12-24-20(17)23;1-11-6-12(2)19(13(3)7-11)17-9-15(26-24-17)4-5-18(25)16-8-14(21)10-23-20(16)22;1-2-12-3-5-13(6-4-12)17-10-15(25-23-17)7-8-18(24)16-9-14(20)11-22-19(16)21;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;18-12-8-14(17(19)20-10-12)16(22)7-6-13-9-15(21-23-13)11-4-2-1-3-5-11/h4-7,10-12H,8-9H2,1-3H3;6-10H,4-5H2,1-3H3;3-6,9-11H,2,7-8H2,1H3;2-5,8-10H,6-7H2,1H3;1-5,8-10H,6-7H2
• InChIKey: APWSZVOLGHMRIN-UHFFFAOYSA-N
• XLogP: 27.39
• TPSA: 279.95 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 26
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.27
LogP ≤ 5	27.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one (CID 157192712) is 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one.

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

The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is CC(C)(C)c1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.CCc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.Cc1cc(C)c(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c(C)c1.Cc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2)no1)c1cc(Cl)cnc1Cl.

What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is APWSZVOLGHMRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O2.C20H18Cl2N2O2.C19H16Cl2N2O2.C18H14Cl2N2O2.C17H12Cl2N2O2/c1-21(2,3)14-6-4-13(5-7-14)18-11-16(27-25-18)8-9-19(26)17-10-15(22)12-24-20(17)23;1-11-6-12(2)19(13(3)7-11)17-9-15(26-24-17)4-5-18(25)16-8-14(21)10-23-20(16)22;1-2-12-3-5-13(6-4-12)17-10-15(25-23-17)7-8-18(24)16-9-14(20)11-22-19(16)21;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;18-12-8-14(17(19)20-10-12)16(22)7-6-13-9-15(21-23-13)11-4-2-1-3-5-11/h4-7,10-12H,8-9H2,1-3H3;6-10H,4-5H2,1-3H3;3-6,9-11H,2,7-8H2,1H3;2-5,8-10H,6-7H2,1H3;1-5,8-10H,6-7H2.

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

3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1876.27 g/mol, XLogP of 27.39, 26 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-tert-butylphenyl)-1,2-oxazol-5-yl]-1-(2,5-dichloro-3-pyridinyl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(4-ethylphenyl)-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;1-(2,5-dichloro-3-pyridinyl)-3-(3-phenyl-1,2-oxazol-5-yl)propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 157192712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).