A9O
概要
| 表記: | 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE |
| 組成式: | C12 H13 N O |
| 電荷: | 0 |
| 化学式量: | 187.238 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 | 5-ethyl-3-methyl-4-phenyl-1,2-oxazole |
| OpenEye OEToolkits | 1.9.2 | 5-ethyl-3-methyl-4-phenyl-1,2-oxazole |
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(c1ccccc1)c2C)CC |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO/c1-3-11-12(9(2)13-14-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | RWCFZRPXMBQSOA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1onc(C)c1c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCc1onc(C)c1c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCc1c(c(no1)C)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCc1c(c(no1)C)c2ccccc2 |
