2-methyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2-methyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
2-methyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | L111-0398 |
Compound Name: | 2-methyl-4-{[3-(4-methylphenyl)-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: | CC1C(N(Cc2nc(c3ccc(C)cc3)no2)c2ccccc2O1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9742 |
logD: | 3.9742 |
logSw: | -4.1639 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 54.415 |
InChI Key: | HTZRRGBLFGQBPG-ZDUSSCGKSA-N |