4-[3-(hydroxymethyl)-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[3-(hydroxymethyl)-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
4-[3-(hydroxymethyl)-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0059 |
| Compound Name: | 4-[3-(hydroxymethyl)-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 394.35 |
| Molecular Formula: | C18 H17 F3 N4 O3 |
| Smiles: | [H]OCC1CN(CCN1C(c1c(C)nco1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3228 |
| logD: | 1.3228 |
| logSw: | -2.2401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.812 |
| InChI Key: | YYJNINBLKMAFGJ-CQSZACIVSA-N |