5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0372 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(2-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | COc1ccccc1/C=C/c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0321 |
| logD: | 4.0321 |
| logSw: | -4.1889 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.689 |
| InChI Key: | ZHQIKQFLKQIUKG-UHFFFAOYSA-N |