2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | 6487-0398 |
| Compound Name: | 2-[(2-chlorophenoxy)methyl]-5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C21 H20 Cl N3 O4 |
| Smiles: | COc1ccc(CCNc2c(C#N)nc(COc3ccccc3[Cl])o2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3423 |
| logD: | 3.3423 |
| logSw: | -3.7142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.631 |
| InChI Key: | FBPXJIMGABNPIR-UHFFFAOYSA-N |