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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

C91H69Cl10F3N10O12 — CID 160735149

About 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 160735149) has the molecular formula C91H69Cl10F3N10O12 and a molecular weight of 1906.13 g/mol. Its IUPAC name is 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 160735149
• Molecular Formula: C91H69Cl10F3N10O12
• Molecular Weight: 1906.13 g/mol
• Exact Mass: 1900.19
• IUPAC Name: 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• SMILES: CCc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.COc1cccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2cc(Cl)cnc2Cl)on1.Cc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1cc(Cl)cnc1Cl
• InChI: InChI=1S/C19H16Cl2N2O2.C18H11Cl2F3N2O2.2C18H14Cl2N2O3.C18H14Cl2N2O2/c1-2-12-3-5-13(6-4-12)17-10-15(25-23-17)7-8-18(24)16-9-14(20)11-22-19(16)21;19-10-7-13(17(20)24-9-10)16(26)6-5-11-8-15(25-27-11)12-3-1-2-4-14(12)18(21,22)23;1-24-13-4-2-3-11(7-13)16-9-14(25-22-16)5-6-17(23)15-8-12(19)10-21-18(15)20;1-24-17-5-3-2-4-13(17)15-9-12(25-22-15)6-7-16(23)14-8-11(19)10-21-18(14)20;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/h3-6,9-11H,2,7-8H2,1H3;1-4,7-9H,5-6H2;2-4,7-10H,5-6H2,1H3;2-5,8-10H,6-7H2,1H3;2-5,8-10H,6-7H2,1H3
• InChIKey: RUVTVBLVFSULKD-UHFFFAOYSA-N
• XLogP: 26.20
• TPSA: 298.41 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1906.13
LogP ≤ 5	26.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 160735149) is 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

What is the SMILES notation for 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The canonical SMILES for 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is CCc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.COc1cccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)c1.COc1ccccc1-c1cc(CCC(=O)c2cc(Cl)cnc2Cl)on1.Cc1ccc(-c2cc(CCC(=O)c3cc(Cl)cnc3Cl)on2)cc1.O=C(CCc1cc(-c2ccccc2C(F)(F)F)no1)c1cc(Cl)cnc1Cl.

What is the InChIKey of 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is RUVTVBLVFSULKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2.C18H11Cl2F3N2O2.2C18H14Cl2N2O3.C18H14Cl2N2O2/c1-2-12-3-5-13(6-4-12)17-10-15(25-23-17)7-8-18(24)16-9-14(20)11-22-19(16)21;19-10-7-13(17(20)24-9-10)16(26)6-5-11-8-15(25-27-11)12-3-1-2-4-14(12)18(21,22)23;1-24-13-4-2-3-11(7-13)16-9-14(25-22-16)5-6-17(23)15-8-12(19)10-21-18(15)20;1-24-17-5-3-2-4-13(17)15-9-12(25-22-15)6-7-16(23)14-8-11(19)10-21-18(14)20;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/h3-6,9-11H,2,7-8H2,1H3;1-4,7-9H,5-6H2;2-4,7-10H,5-6H2,1H3;2-5,8-10H,6-7H2,1H3;2-5,8-10H,6-7H2,1H3.

What are the key properties of 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1906.13 g/mol, XLogP of 26.20, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(2-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,5-dichloro-3-pyridinyl)-3-[3-(3-methoxyphenyl)-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-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 160735149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).