2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0461 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(NCC3CCCO3)o2)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5301 |
| logD: | 2.5301 |
| logSw: | -2.7152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.858 |
| InChI Key: | IGPAIJWQLPRAEL-CQSZACIVSA-N |