methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]benzoate
methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]benzoate
Compound characteristics
| Compound ID: | 8017-6992 |
| Compound Name: | methyl 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]benzoate |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C17 H12 N2 O5 |
| Smiles: | COC(c1ccc(cc1)c1nc(c2ccc3c(c2)OCO3)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2233 |
| logD: | 4.2233 |
| logSw: | -4.4523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.934 |
| InChI Key: | ISLRTEGYOXMDID-UHFFFAOYSA-N |