5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0265 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 363.35 |
| Molecular Formula: | C20 H14 F N3 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1c(C#N)nc(/C=C/c2ccc(cc2)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9456 |
| logD: | 3.9456 |
| logSw: | -4.239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.059 |
| InChI Key: | VVSQOANVQIAZPW-UHFFFAOYSA-N |