4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0020 |
| Compound Name: | 4-{[3-(4-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: | Cc1ccc(cc1)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.4667 |
| logD: | 3.4667 |
| logSw: | -3.6478 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | LSAPGADOVXEWGN-UHFFFAOYSA-N |