5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | 4953-1999 |
| Compound Name: | 5-[(3,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | Cc1ccc(cc1C)OCc1nc(c2ccc(cc2)[N+]([O-])=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.9696 |
| logD: | 4.9696 |
| logSw: | -4.7555 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.19 |
| InChI Key: | PQLQFAXGSVMKDA-UHFFFAOYSA-N |