H47
概要
表記: | 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide |
組成式: | C12 H12 N2 O3 |
電荷: | 0 |
化学式量: | 232.235 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 | 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide |
OpenEye OEToolkits | 2.0.6 | 2-(3-methoxyphenyl)-~{N}-(1,2-oxazol-3-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 |
SMILES | ACDLabs | 12.01 | N(C(Cc1cccc(OC)c1)=O)c2ccon2 |
InChI | InChI | 1.03 | InChI=1S/C12H12N2O3/c1-16-10-4-2-3-9(7-10)8-12(15)13-11-5-6-17-14-11/h2-7H,8H2,1H3,(H,13,14,15) |
InChIKey | InChI | 1.03 | LFZVRGLOBRIGDU-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CC(=O)Nc2ccon2)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(CC(=O)Nc2ccon2)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)CC(=O)Nc2ccon2 |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1cccc(c1)CC(=O)Nc2ccon2 |