3-[(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
3-[(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L914-0700 |
| Compound Name: | 3-[(5-methyl-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)N(Cc1nc(C(NCCc3ccc(cc3)SC)=O)on1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.2667 |
| logD: | 3.2667 |
| logSw: | -3.6747 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.261 |
| InChI Key: | ZRPXUJTVEAMHMR-UHFFFAOYSA-N |