3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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

C118H111ClF4N12O12 — CID 159276015

About 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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

3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 (PubChem CID 159276015) has the molecular formula C118H111ClF4N12O12 and a molecular weight of 2000.70 g/mol. Its IUPAC name is 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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.

Molecular Properties

• Compound Name: 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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
• PubChem CID: 159276015
• Molecular Formula: C118H111ClF4N12O12
• Molecular Weight: 2000.70 g/mol
• Exact Mass: 1998.81
• IUPAC Name: 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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
• SMILES: Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.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/C20H17F3N2O2.3C20H20N2O2.C19H17ClN2O2.C19H17FN2O2/c1-12-7-9-15(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;3*1-13-4-7-16(8-5-13)19-12-17(24-22-19)9-11-20(23)18-10-6-14(2)21-15(18)3;2*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/h3-7,9,11H,8,10H2,1-2H3;3*4-8,10,12H,9,11H2,1-3H3;2*3-7,9,11H,8,10H2,1-2H3
• InChIKey: KYHYKQOHHMTUNW-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.70
LogP ≤ 5	27.75
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;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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?

The IUPAC name of 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 (CID 159276015) is 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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.

What is the SMILES notation for 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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?

The canonical SMILES for 3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 is Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3C)on2)cc1.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;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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?

The InChIKey is KYHYKQOHHMTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2.3C20H20N2O2.C19H17ClN2O2.C19H17FN2O2/c1-12-7-9-15(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;3*1-13-4-7-16(8-5-13)19-12-17(24-22-19)9-11-20(23)18-10-6-14(2)21-15(18)3;2*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/h3-7,9,11H,8,10H2,1-2H3;3*4-8,10,12H,9,11H2,1-3H3;2*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;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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?

3-[3-(2-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;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 has a molecular weight of 2000.70 g/mol, XLogP of 27.75, 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;1-(2,6-dimethyl-3-pyridinyl)-3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]propan-1-one;tris(1-(2,6-dimethyl-3-pyridinyl)-3-[3-(4-methylphenyl)-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 is sourced from PubChem (CID 159276015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).