NW7
概要
| 表記: | 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide |
| 組成式: | C11 H13 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 235.239 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 | 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide |
| OpenEye OEToolkits | 2.0.6 | 3-ethyl-5-methyl-~{N}-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide |
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 | n2oc(C)c(C(Nc1noc(c1)C)=O)c2CC |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3O3/c1-4-8-10(7(3)17-13-8)11(15)12-9-5-6(2)16-14-9/h5H,4H2,1-3H3,(H,12,14,15) |
| InChIKey | InChI | 1.03 | OZMHRDLCZDDXRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1noc(C)c1C(=O)Nc2cc(C)on2 |
| SMILES | CACTVS | 3.385 | CCc1noc(C)c1C(=O)Nc2cc(C)on2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCc1c(c(on1)C)C(=O)Nc2cc(on2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCc1c(c(on1)C)C(=O)Nc2cc(on2)C |
