5-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
5-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 8016-3651 |
| Compound Name: | 5-[(4-nitro-1H-pyrazol-1-yl)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 336.31 |
| Molecular Formula: | C16 H12 N6 O3 |
| Smiles: | C(c1nc(c2ccc(cc2)n2cccc2)no1)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0761 |
| logD: | 3.0761 |
| logSw: | -3.1936 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 83.454 |
| InChI Key: | URSQNINKRMQIAE-UHFFFAOYSA-N |