5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | 5677-0121 |
| Compound Name: | 5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-[(3-methylphenoxy)methyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | Cc1cccc(c1)OCc1nc(C#N)c(NCCc2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.439 |
| logD: | 3.439 |
| logSw: | -3.5993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.545 |
| InChI Key: | PPBHFZKXDUXWFP-UHFFFAOYSA-N |