5-amino-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0096 |
| Compound Name: | 5-amino-1-{[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 452.44 |
| Molecular Formula: | C22 H21 F N6 O4 |
| Smiles: | Cc1c(Cn2c(c(C(Nc3ccccc3F)=O)nn2)N)nc(c2ccc(c(c2)OC)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.1681 |
| logD: | 2.1677 |
| logSw: | -3.0391 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.973 |
| InChI Key: | RRMPBJMUKKPDEJ-UHFFFAOYSA-N |