4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0026 |
| Compound Name: | 4-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C18 H15 N3 O3 |
| Smiles: | Cc1cccc(c1)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4126 |
| logD: | 3.4126 |
| logSw: | -3.7619 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | YWIKIEBEXVUAAX-UHFFFAOYSA-N |