methyl 4-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate
methyl 4-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate
Compound characteristics
| Compound ID: | 8015-6662 |
| Compound Name: | methyl 4-{3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-5-yl}benzoate |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C20 H15 N3 O3 |
| Smiles: | COC(c1ccc(cc1)c1nc(c2ccc(cc2)n2cccc2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1163 |
| logD: | 5.1163 |
| logSw: | -5.1588 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.804 |
| InChI Key: | QGFMWUZSOBRNDZ-UHFFFAOYSA-N |