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

C109H89Cl4F5N12O12 — CID 159551715

About 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (PubChem CID 159551715) has the molecular formula C109H89Cl4F5N12O12 and a molecular weight of 1995.78 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• PubChem CID: 159551715
• Molecular Formula: C109H89Cl4F5N12O12
• Molecular Weight: 1995.78 g/mol
• Exact Mass: 1992.54
• IUPAC Name: 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one
• SMILES: Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3Cl)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(F)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3C(F)(F)F)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3F)no2)cn1
• InChI: InChI=1S/C19H15F3N2O2.C18H14Cl2N2O2.2C18H15ClN2O2.2C18H15FN2O2/c1-12-6-7-13(11-23-12)18(25)9-8-14-10-17(24-26-14)15-4-2-3-5-16(15)19(20,21)22;1-11-2-3-12(10-21-11)18(23)7-5-14-9-17(22-24-14)15-6-4-13(19)8-16(15)20;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19/h2-7,10-11H,8-9H2,1H3;2-4,6,8-10H,5,7H2,1H3;4*2-7,10-11H,8-9H2,1H3
• InChIKey: MFMBCRAOXVEDNW-UHFFFAOYSA-N
• XLogP: 27.07
• TPSA: 335.94 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1995.78
LogP ≤ 5	27.07
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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one (CID 159551715) is 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(Cl)cc3Cl)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccc(F)cc3)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3C(F)(F)F)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3Cl)no2)cn1.Cc1ccc(C(=O)CCc2cc(-c3ccccc3F)no2)cn1.

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

The InChIKey is MFMBCRAOXVEDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2.C18H14Cl2N2O2.2C18H15ClN2O2.2C18H15FN2O2/c1-12-6-7-13(11-23-12)18(25)9-8-14-10-17(24-26-14)15-4-2-3-5-16(15)19(20,21)22;1-11-2-3-12(10-21-11)18(23)7-5-14-9-17(22-24-14)15-6-4-13(19)8-16(15)20;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19;1-12-2-3-14(11-20-12)18(22)9-8-16-10-17(21-23-16)13-4-6-15(19)7-5-13;1-12-6-7-13(11-20-12)18(22)9-8-14-10-17(21-23-14)15-4-2-3-5-16(15)19/h2-7,10-11H,8-9H2,1H3;2-4,6,8-10H,5,7H2,1H3;4*2-7,10-11H,8-9H2,1H3.

What are the key properties of 3-[3-(2-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one has a molecular weight of 1995.78 g/mol, XLogP of 27.07, 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-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;1-(6-methyl-3-pyridinyl)-3-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-one is sourced from PubChem (CID 159551715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).