H3V
概要
表記: | N-(1,2-oxazol-3-yl)-2-phenylacetamide |
組成式: | C11 H10 N2 O2 |
電荷: | 0 |
化学式量: | 202.209 Da |
分子種別: | NON-POLYMER |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | N-(1,2-oxazol-3-yl)-2-phenylacetamide |
OpenEye OEToolkits | 2.0.6 | ~{N}-(1,2-oxazol-3-yl)-2-phenyl-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 |
SMILES | ACDLabs | 12.01 | N(C(Cc1ccccc1)=O)c2ccon2 |
InChI | InChI | 1.03 | InChI=1S/C11H10N2O2/c14-11(12-10-6-7-15-13-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14) |
InChIKey | InChI | 1.03 | SGBROXCJKREELC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1ccccc1)Nc2ccon2 |
SMILES | CACTVS | 3.385 | O=C(Cc1ccccc1)Nc2ccon2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(=O)Nc2ccon2 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CC(=O)Nc2ccon2 |