methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

C80H70F6N8O11S3 — CID 157237142

About methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (PubChem CID 157237142) has the molecular formula C80H70F6N8O11S3 and a molecular weight of 1529.67 g/mol. Its IUPAC name is methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

Molecular Properties

• Compound Name: methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
• PubChem CID: 157237142
• Molecular Formula: C80H70F6N8O11S3
• Molecular Weight: 1529.67 g/mol
• Exact Mass: 1528.42
• IUPAC Name: methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
• SMILES: CC(=O)c1ccc(-c2ncc(C)o2)cc1.CC(=O)c1ccc(-c2ncc(C)s2)cc1.COC(=O)c1ccc(-c2ncc(C)o2)cc1.COC(=O)c1ccc(-c2ncc(C)s2)cc1.Cc1ccn(-c2ccccc2)n1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)o1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1
• InChI: InChI=1S/C12H11NO3.C12H11NO2S.C12H11NO2.C12H11NOS.C11H8F3NO2.C11H8F3NOS.C10H10N2/c2*1-8-7-13-11(16-8)9-3-5-10(6-4-9)12(14)15-2;2*1-8-7-13-12(15-8)11-5-3-10(4-6-11)9(2)14;1-7-6-15-10(16-7)8-2-4-9(5-3-8)17-11(12,13)14;1-7-6-15-10(17-7)8-2-4-9(5-3-8)16-11(12,13)14;1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2*3-7H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;2-8H,1H3
• InChIKey: AUTPQHSICPGYBK-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 239.78 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1529.67
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?

The IUPAC name of methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole (CID 157237142) is methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole.

What is the SMILES notation for methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?

The canonical SMILES for methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is CC(=O)c1ccc(-c2ncc(C)o2)cc1.CC(=O)c1ccc(-c2ncc(C)s2)cc1.COC(=O)c1ccc(-c2ncc(C)o2)cc1.COC(=O)c1ccc(-c2ncc(C)s2)cc1.Cc1ccn(-c2ccccc2)n1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)o1.Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1.

What is the InChIKey of methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?

The InChIKey is AUTPQHSICPGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3.C12H11NO2S.C12H11NO2.C12H11NOS.C11H8F3NO2.C11H8F3NOS.C10H10N2/c2*1-8-7-13-11(16-8)9-3-5-10(6-4-9)12(14)15-2;2*1-8-7-13-12(15-8)11-5-3-10(4-6-11)9(2)14;1-7-6-15-10(16-7)8-2-4-9(5-3-8)17-11(12,13)14;1-7-6-15-10(17-7)8-2-4-9(5-3-8)16-11(12,13)14;1-9-7-8-12(11-9)10-5-3-2-4-6-10/h2*3-7H,1-2H3;2*3-7H,1-2H3;2*2-6H,1H3;2-8H,1H3.

What are the key properties of methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole?

methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole has a molecular weight of 1529.67 g/mol, XLogP of 21.26, 13 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-(5-methyl-1,3-oxazol-2-yl)benzoate;methyl 4-(5-methyl-1,3-thiazol-2-yl)benzoate;1-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]ethanone;3-methyl-1-phenylpyrazole;1-[4-(5-methyl-1,3-thiazol-2-yl)phenyl]ethanone;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole is sourced from PubChem (CID 157237142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).