5-(4-benzylpiperidin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-benzylpiperidin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(4-benzylpiperidin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0500 |
| Compound Name: | 5-(4-benzylpiperidin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C27 H29 N3 O4 |
| Smiles: | COc1cc(/C=C/c2nc(C#N)c(N3CCC(CC3)Cc3ccccc3)o2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5099 |
| logD: | 5.5099 |
| logSw: | -5.6785 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.127 |
| InChI Key: | KMYMMAJMEYTPPY-UHFFFAOYSA-N |