46R
Summary
| Name: | N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide |
| Formula: | C6 H5 F3 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 194.111 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | N-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCC(F)(F)F)c1nocc1 |
| InChI | InChI | 1.03 | InChI=1S/C6H5F3N2O2/c7-6(8,9)3-10-5(12)4-1-2-13-11-4/h1-2H,3H2,(H,10,12) |
| InChIKey | InChI | 1.03 | OOPKAKDUIYDDGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1ccon1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CNC(=O)c1ccon1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1conc1C(=O)NCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1conc1C(=O)NCC(F)(F)F |
