4-({2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
4-({2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile
Compound characteristics
| Compound ID: | V002-0207 |
| Compound Name: | 4-({2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-1-[3-(pyrrolidin-1-yl)phenyl]ethoxy}methyl)benzonitrile |
| Molecular Weight: | 513.64 |
| Molecular Formula: | C30 H35 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCN(CC2)CC(c2cccc(c2)N2CCCC2)OCc2ccc(C#N)cc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.349 |
| logD: | 3.347 |
| logSw: | -3.4529 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.22 |
| InChI Key: | IBRSMUZXVRNWCW-NDEPHWFRSA-N |