5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D301-0103 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C24 H19 N3 O5 |
| Smiles: | Cc1ccc(cc1)OCc1ccc(c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6347 |
| logD: | 4.6347 |
| logSw: | -4.3984 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.462 |
| InChI Key: | NPFBRCUTPHTWIQ-UHFFFAOYSA-N |