2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
C152H120F22N14O8S6 — CID 158811429
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 158811429) has the molecular formula C152H120F22N14O8S6 and a molecular weight of 2881.08 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
Molecular Properties
| Compound Name | 2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
|---|---|
| PubChem CID | 158811429 |
| Molecular Formula | C152H120F22N14O8S6 |
| Molecular Weight | 2881.08 g/mol |
| Exact Mass | 2878.74 |
| IUPAC Name | 2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
| SMILES | Cc1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1.Cc1cnc(-c2ccc(-c3ccccc3)cc2)o1.Cc1cnc(-c2ccc(C(F)(F)F)cc2)o1.Cc1cnc(-c2ccc(C(F)(F)F)cc2)s1.Cc1cnc(-c2ccc(F)cc2)o1.Cc1cnc(-c2ccc(F)cc2)s1.Cc1cnc(-c2ccccc2)o1.Cc1cnc(-c2ccccc2)s1.Cc1coc(-c2ccc(C(F)(F)F)cc2)n1.Cc1coc(-c2ccc(F)cc2)n1.Cc1coc(-c2ccccc2)n1.Cc1csc(-c2ccc(C(F)(F)F)cc2)n1.Cc1csc(-c2ccc(F)cc2)n1.Cc1csc(-c2ccccc2)n1 |
| InChI | InChI=1S/C16H13NO.C12H7F6NO.2C11H8F3NO.2C11H8F3NS.2C10H8FNO.2C10H8FNS.2C10H9NO.2C10H9NS/c1-12-11-17-16(18-12)15-9-7-14(8-10-15)13-5-3-2-4-6-13;1-6-5-19-10(20-6)7-2-8(11(13,14)15)4-9(3-7)12(16,17)18;1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14;1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14;1-7-6-16-10(15-7)8-2-4-9(5-3-8)11(12,13)14;1-7-6-15-10(16-7)8-2-4-9(5-3-8)11(12,13)14;1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-7-6-12-10(13-7)8-2-4-9(11)5-3-8;1-7-6-13-10(12-7)8-2-4-9(11)5-3-8;1-7-6-12-10(13-7)8-2-4-9(11)5-3-8;1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9;1-8-7-12-10(11-8)9-5-3-2-4-6-9;1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-11H,1H3;2-5H,1H3;4*2-6H,1H3;4*2-6H,1H3;4*2-7H,1H3 |
| InChIKey | IUSWPRKVOUQBFF-UHFFFAOYSA-N |
| XLogP | 48.25 |
| TPSA | 285.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 202 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2881.08 |
| LogP ≤ 5 | 48.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
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Sources
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