5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0504 |
| Compound Name: | 5-{[3-(1H-imidazol-1-yl)propyl]amino}-2-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | COc1cc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0262 |
| logD: | 1.7843 |
| logSw: | -2.2684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.563 |
| InChI Key: | MBRDFJPTSLUPIK-UHFFFAOYSA-N |