3-(2H-1,3-benzodioxol-5-yl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
3-(2H-1,3-benzodioxol-5-yl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8017-7004 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5-[(4-nitrophenoxy)methyl]-1,2,4-oxadiazole |
| Molecular Weight: | 341.28 |
| Molecular Formula: | C16 H11 N3 O6 |
| Smiles: | C(c1nc(c2ccc3c(c2)OCO3)no1)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8538 |
| logD: | 3.8538 |
| logSw: | -4.207 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.306 |
| InChI Key: | YYTPHVYABLSBKF-UHFFFAOYSA-N |