LHS
概要
| 表記: | N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide |
| 組成式: | C12 H12 F N3 O3 |
| 電荷: | 0 |
| 化学式量: | 265.24 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 | N-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-carboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-1,2,4-oxadiazole-3-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 | n2c(C(NCc1ccc(F)cc1)=O)noc2COC |
| InChI | InChI | 1.03 | InChI=1S/C12H12FN3O3/c1-18-7-10-15-11(16-19-10)12(17)14-6-8-2-4-9(13)5-3-8/h2-5H,6-7H2,1H3,(H,14,17) |
| InChIKey | InChI | 1.03 | ABEBQQLGINUBLA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCc1onc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES | CACTVS | 3.385 | COCc1onc(n1)C(=O)NCc2ccc(F)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COCc1nc(no1)C(=O)NCc2ccc(cc2)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | COCc1nc(no1)C(=O)NCc2ccc(cc2)F |
