5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D301-0052 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[5-(phenoxymethyl)furan-2-yl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C23 H17 N3 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)nc(c2ccc(COc3ccccc3)o2)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1828 |
| logD: | 4.1828 |
| logSw: | -4.4099 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.462 |
| InChI Key: | OQANVNIBTWLBJX-UHFFFAOYSA-N |