5-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0362 |
| Compound Name: | 5-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 323.39 |
| Molecular Formula: | C19 H21 N3 O2 |
| Smiles: | COc1ccccc1/C=C/c1nc(C#N)c(N2CCCCCC2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6063 |
| logD: | 4.6063 |
| logSw: | -4.4059 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.382 |
| InChI Key: | CRJOFFWNRDKSME-UHFFFAOYSA-N |