4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | L111-0030 |
| Compound Name: | 4-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C19 H17 N3 O3 |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C(COc3ccccc23)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0275 |
| logD: | 4.0275 |
| logSw: | -4.1813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.411 |
| InChI Key: | OPCSECDGOUNNIE-UHFFFAOYSA-N |