5-(butylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(butylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-(butylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0428 |
| Compound Name: | 5-(butylamino)-2-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 327.38 |
| Molecular Formula: | C18 H21 N3 O3 |
| Smiles: | CCCCNc1c(C#N)nc(/C=C/c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7529 |
| logD: | 3.7529 |
| logSw: | -3.9844 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.317 |
| InChI Key: | IDJHSXMMPDCAIR-UHFFFAOYSA-N |