5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0425 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 375.38 |
| Molecular Formula: | C21 H17 N3 O4 |
| Smiles: | COc1cccc(/C=C/c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9802 |
| logD: | 3.9802 |
| logSw: | -4.2128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.603 |
| InChI Key: | HDPQPOLRVTUOCA-UHFFFAOYSA-N |