5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0237 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[2-(4-fluorophenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C22 H20 F N3 O3 |
| Smiles: | COc1ccc(CCNc2c(C#N)nc(/C=C/c3ccc(cc3)F)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7141 |
| logD: | 3.7141 |
| logSw: | -4.1307 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.046 |
| InChI Key: | YBTPHPWTIRDKMT-UHFFFAOYSA-N |