3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

C116H102Cl2F8N12O12 — CID 159694284

About 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one

3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 159694284) has the molecular formula C116H102Cl2F8N12O12 and a molecular weight of 2079.05 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 159694284
• Molecular Formula: C116H102Cl2F8N12O12
• Molecular Weight: 2079.05 g/mol
• Exact Mass: 2076.70
• IUPAC Name: 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• SMILES: Cc1ccc(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(F)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3C(F)(F)F)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3F)no2)c(C)n1
• InChI: InChI=1S/2C20H17F3N2O2.2C19H17ClN2O2.2C19H17FN2O2/c1-12-3-9-17(13(2)24-12)19(26)10-8-16-11-18(25-27-16)14-4-6-15(7-5-14)20(21,22)23;1-12-7-9-15(13(2)24-12)19(26)10-8-14-11-18(25-27-14)16-5-3-4-6-17(16)20(21,22)23;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;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20;1-12-3-9-17(13(2)21-12)19(23)10-8-16-11-18(22-24-16)14-4-6-15(20)7-5-14;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20/h2*3-7,9,11H,8,10H2,1-2H3;4*3-7,9,11H,8,10H2,1-2H3
• InChIKey: MWUSACNQJIRPMW-UHFFFAOYSA-N
• XLogP: 28.64
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2079.05
LogP ≤ 5	28.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The IUPAC name of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 159694284) is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one.

What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is Cc1ccc(C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccc(F)cc3)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3C(F)(F)F)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)c(C)n1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3F)no2)c(C)n1.

What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

The InChIKey is MWUSACNQJIRPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H17F3N2O2.2C19H17ClN2O2.2C19H17FN2O2/c1-12-3-9-17(13(2)24-12)19(26)10-8-16-11-18(25-27-16)14-4-6-15(7-5-14)20(21,22)23;1-12-7-9-15(13(2)24-12)19(26)10-8-14-11-18(25-27-14)16-5-3-4-6-17(16)20(21,22)23;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;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20;1-12-3-9-17(13(2)21-12)19(23)10-8-16-11-18(22-24-16)14-4-6-15(20)7-5-14;1-12-7-9-15(13(2)21-12)19(23)10-8-14-11-18(22-24-14)16-5-3-4-6-17(16)20/h2*3-7,9,11H,8,10H2,1-2H3;4*3-7,9,11H,8,10H2,1-2H3.

What are the key properties of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one?

3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 2079.05 g/mol, XLogP of 28.64, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(2,6-dimethyl-3-pyridinyl)propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one;1-(2,6-dimethyl-3-pyridinyl)-3-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 159694284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).