2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0440 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C21 H18 F N3 O3 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(NCc3ccc(cc3)F)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7385 |
| logD: | 3.7385 |
| logSw: | -4.0889 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.204 |
| InChI Key: | QVVHJFYXHXUHCD-UHFFFAOYSA-N |