3-(2H-1,3-benzodioxol-5-yl)-5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M007-0018 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-1,2,4-oxadiazole |
| Molecular Weight: | 442.43 |
| Molecular Formula: | C23 H18 N6 O4 |
| Smiles: | Cc1c(c2nc(c3ccc4c(c3)OCO4)no2)nnn1Cc1c(C)oc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0441 |
| logD: | 4.0441 |
| logSw: | -4.1962 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 93.589 |
| InChI Key: | GNKHLPOYGRJUPA-UHFFFAOYSA-N |