3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | P507-0824 |
| Compound Name: | 3-{1-[(4-methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 306.32 |
| Molecular Formula: | C16 H14 N6 O |
| Smiles: | Cc1ccc(Cn2cc(c3nc(c4ccc[nH]4)on3)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0109 |
| logD: | 3.0109 |
| logSw: | -2.9296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.224 |
| InChI Key: | UMYLDNGXINVNAM-UHFFFAOYSA-N |