A1DLX
Summary
| Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| Formula: | C12 H8 Cl F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 304.652 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[4-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(no1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F |
| InChI | InChI | 1.06 | InChI=1S/C12H8ClF3N2O2/c1-6-4-10(18-20-6)11(19)17-9-3-2-7(13)5-8(9)12(14,15)16/h2-5H,1H3,(H,17,19) |
| InChIKey | InChI | 1.06 | PLWVXUYTAUQFGK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1onc(c1)C(=O)Nc2ccc(Cl)cc2C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1onc(c1)C(=O)Nc2ccc(Cl)cc2C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(no1)C(=O)Nc2ccc(cc2C(F)(F)F)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1cc(no1)C(=O)Nc2ccc(cc2C(F)(F)F)Cl |
