4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Chemical Structure Depiction of
4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile
Compound characteristics
| Compound ID: | P507-0235 |
| Compound Name: | 4-{3-[1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}benzonitrile |
| Molecular Weight: | 328.33 |
| Molecular Formula: | C18 H12 N6 O |
| Smiles: | Cc1ccc(cc1)n1cc(c2nc(c3ccc(C#N)cc3)on2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7183 |
| logD: | 3.7183 |
| logSw: | -3.9212 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 75.066 |
| InChI Key: | DUMKMSOHWQTLDU-UHFFFAOYSA-N |