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 |