5-(cyclopropylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(cyclopropylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(cyclopropylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0453 |
| Compound Name: | 5-(cyclopropylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C17 H17 N3 O3 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(NC3CC3)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.9134 |
| logD: | 2.9134 |
| logSw: | -3.2672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.26 |
| InChI Key: | TVGRYRBAUDDCDM-UHFFFAOYSA-N |