YFY
概要
| 表記: | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide |
| 組成式: | C19 H25 N3 O3 |
| 電荷: | 0 |
| 化学式量: | 343.42 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 | (2R,3R)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-(propan-2-yl)piperidine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-~{N}-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-propan-2-yl-piperidine-2-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 | COc2cc(ccc2c1cnco1)NC(=O)C3C(C(C)C)CCCN3 |
| InChI | InChI | 1.03 | InChI=1S/C19H25N3O3/c1-12(2)14-5-4-8-21-18(14)19(23)22-13-6-7-15(16(9-13)24-3)17-10-20-11-25-17/h6-7,9-12,14,18,21H,4-5,8H2,1-3H3,(H,22,23)/t14-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | OIIKHSCLQXVMOG-RDTXWAMCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(NC(=O)[C@@H]2NCCC[C@@H]2C(C)C)ccc1c3ocnc3 |
| SMILES | CACTVS | 3.385 | COc1cc(NC(=O)[CH]2NCCC[CH]2C(C)C)ccc1c3ocnc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@H]1CCCN[C@H]1C(=O)Nc2ccc(c(c2)OC)c3cnco3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1CCCNC1C(=O)Nc2ccc(c(c2)OC)c3cnco3 |
