3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | L914-1072 |
| Compound Name: | 3-[(5-chloro-2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]-N-{[4-(dimethylamino)phenyl]methyl}-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 427.85 |
| Molecular Formula: | C20 H18 Cl N5 O4 |
| Smiles: | CN(C)c1ccc(CNC(c2nc(CN3C(=O)Oc4ccc(cc34)[Cl])no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8285 |
| logD: | 2.8131 |
| logSw: | -3.7587 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.225 |
| InChI Key: | DZLHDIJDQLGCGK-UHFFFAOYSA-N |