TQC
概要
| 表記: | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
| 組成式: | C10 H12 N4 O |
| 電荷: | 0 |
| 化学式量: | 204.228 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 | (3M)-5-cyclobutyl-3-(1-methyl-1H-imidazol-2-yl)-1,2,4-oxadiazole |
| OpenEye OEToolkits | 2.0.7 | 5-cyclobutyl-3-(1-methylimidazol-2-yl)-1,2,4-oxadiazole |
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 | Cn1ccnc1c1nc(on1)C1CCC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12N4O/c1-14-6-5-11-9(14)8-12-10(15-13-8)7-3-2-4-7/h5-7H,2-4H2,1H3 |
| InChIKey | InChI | 1.06 | OPUWQKONOBGDBJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ccnc1c2noc(n2)C3CCC3 |
| SMILES | CACTVS | 3.385 | Cn1ccnc1c2noc(n2)C3CCC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1ccnc1c2nc(on2)C3CCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1ccnc1c2nc(on2)C3CCC3 |
