4-{3-(hydroxymethyl)-4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{3-(hydroxymethyl)-4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
4-{3-(hydroxymethyl)-4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S956-0024 |
| Compound Name: | 4-{3-(hydroxymethyl)-4-[5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 470.45 |
| Molecular Formula: | C24 H21 F3 N4 O3 |
| Smiles: | [H]OCC1CN(CCN1C(c1c(c2cccc(C)c2)ocn1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.23 |
| logD: | 3.23 |
| logSw: | -3.2502 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.734 |
| InChI Key: | QFRSRIOVCYAMIA-LJQANCHMSA-N |