3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-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-(4-methylphenyl)-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-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M007-0081 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C24 H20 N6 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(Cn2c(C)c(c3nc(c4ccc5c(c4)OCO5)no3)nn2)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5726 |
| logD: | 4.5725 |
| logSw: | -4.4628 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 93.589 |
| InChI Key: | IQCYZFBPHAWQRN-UHFFFAOYSA-N |