5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-4005 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-tert-butylphenyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 375.43 |
| Molecular Formula: | C22 H21 N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0595 |
| logD: | 5.0595 |
| logSw: | -4.7532 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.393 |
| InChI Key: | UBQYFBPISFOOQG-UHFFFAOYSA-N |