WCT
Summary
| Name: | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide |
| Formula: | C9 H11 F3 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 252.19 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]-1,2-oxazole-5-carboxamide |
| OpenEye OEToolkits | 2.0.7 | 3-methyl-~{N}-[(3~{S})-4,4,4-tris(fluoranyl)-3-oxidanyl-butyl]-1,2-oxazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(O)C(F)(F)F)c1cc(C)no1 |
| InChI | InChI | 1.06 | InChI=1S/C9H11F3N2O3/c1-5-4-6(17-14-5)8(16)13-3-2-7(15)9(10,11)12/h4,7,15H,2-3H2,1H3,(H,13,16)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | UFYWGEDIOOTKBU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(on1)C(=O)NCC[C@H](O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cc(on1)C(=O)NCC[CH](O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)C(=O)NCC[C@@H](C(F)(F)F)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(on1)C(=O)NCCC(C(F)(F)F)O |
