5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-1406 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 299.33 |
| Molecular Formula: | C16 H17 N3 O3 |
| Smiles: | CC(C)Cc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.178 |
| logD: | 3.178 |
| logSw: | -3.2551 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.33 |
| InChI Key: | VWCLAITXRUVTDQ-UHFFFAOYSA-N |