3-(2H-1,3-benzodioxol-5-yl)-5-(1-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-(1-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-(1-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M007-0186 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-(1-{[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-methyl-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C24 H20 N6 O5 |
| Smiles: | Cc1c(c2nc(c3ccc4c(c3)OCO4)no2)nnn1Cc1c(C)oc(c2ccc(cc2)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1316 |
| logD: | 4.1316 |
| logSw: | -4.3927 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 101.132 |
| InChI Key: | YIJBAWFCXGBQBH-UHFFFAOYSA-N |