NXE
概要
| 表記: | ~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide |
| 組成式: | C6 H5 F3 N2 O2 |
| 電荷: | 0 |
| 化学式量: | 194.111 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-(trifluoromethyl)-1,2-oxazol-5-yl]ethanamide |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.03 | InChI=1S/C6H5F3N2O2/c1-3(12)10-5-2-4(11-13-5)6(7,8)9/h2H,1H3,(H,10,12) |
| InChIKey | InChI | 1.03 | KKHMJANPVRFCAR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1onc(c1)C(F)(F)F |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1onc(c1)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(no1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(no1)C(F)(F)F |
