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 |