2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D151-0431 |
| Compound Name: | 2-[2-(3,4-dimethoxyphenyl)ethenyl]-5-(pyrrolidin-1-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C18 H19 N3 O3 |
| Smiles: | COc1ccc(/C=C/c2nc(C#N)c(N3CCCC3)o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4086 |
| logD: | 3.4086 |
| logSw: | -3.574 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.047 |
| InChI Key: | XBVVYCJILMLSGN-UHFFFAOYSA-N |