3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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

C112H98Cl2F4N12O12 — CID 160751132

About 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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 160751132) has the molecular formula C112H98Cl2F4N12O12 and a molecular weight of 1950.99 g/mol. Its IUPAC name is 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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: 160751132
• Molecular Formula: C112H98Cl2F4N12O12
• Molecular Weight: 1950.99 g/mol
• Exact Mass: 1948.67
• IUPAC Name: 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.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/C19H17ClN2O2.C19H15F3N2O2.2C19H18N2O2.C18H15ClN2O2.C18H15FN2O2/c1-12-3-7-16(17(20)9-12)18-10-15(24-22-18)6-8-19(23)14-5-4-13(2)21-11-14;1-12-6-7-13(11-23-12)18(25)9-8-14-10-17(24-26-14)15-4-2-3-5-16(15)19(20,21)22;2*1-13-3-6-15(7-4-13)18-11-17(23-21-18)9-10-19(22)16-8-5-14(2)20-12-16;2*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/h3-5,7,9-11H,6,8H2,1-2H3;2-7,10-11H,8-9H2,1H3;2*3-8,11-12H,9-10H2,1-2H3;2*2-7,10-11H,8-9H2,1H3
• InChIKey: RWVIMCRWMUIREM-UHFFFAOYSA-N
• XLogP: 26.55
• 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	1950.99
LogP ≤ 5	26.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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 160751132) is 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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(-c2cc(CCC(=O)c3ccc(C)nc3)on2)c(Cl)c1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.Cc1ccc(-c2cc(CCC(=O)c3ccc(C)nc3)on2)cc1.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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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 RWVIMCRWMUIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2.C19H15F3N2O2.2C19H18N2O2.C18H15ClN2O2.C18H15FN2O2/c1-12-3-7-16(17(20)9-12)18-10-15(24-22-18)6-8-19(23)14-5-4-13(2)21-11-14;1-12-6-7-13(11-23-12)18(25)9-8-14-10-17(24-26-14)15-4-2-3-5-16(15)19(20,21)22;2*1-13-3-6-15(7-4-13)18-11-17(23-21-18)9-10-19(22)16-8-5-14(2)20-12-16;2*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/h3-5,7,9-11H,6,8H2,1-2H3;2-7,10-11H,8-9H2,1H3;2*3-8,11-12H,9-10H2,1-2H3;2*2-7,10-11H,8-9H2,1H3.

What are the key properties of 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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 1950.99 g/mol, XLogP of 26.55, 30 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(2-chloro-4-methylphenyl)-1,2-oxazol-5-yl]-1-(6-methyl-3-pyridinyl)propan-1-one;3-[3-(2-chlorophenyl)-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;bis(3-[3-(4-methylphenyl)-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 160751132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).