5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
Chemical Structure Depiction of
5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | M007-0080 |
| Compound Name: | 5-(5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazol-4-yl)-3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazole |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C24 H22 N6 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc(Cn2c(C)c(c3nc(c4ccc(cc4)SC)no3)nn2)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.3712 |
| logD: | 5.3712 |
| logSw: | -5.4994 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.473 |
| InChI Key: | JYIFNIXIDHQZJH-UHFFFAOYSA-N |