IUPAC name
3-[1-(3,5-dichlorophenyl)-1-methylethyl]-2,3-dihydro-6-methyl-5-phenyl-4H-1,3-oxazin-4-one
SMILES
CC1=C(c2ccccc2)C(=O)N(CO1)C(C)(C)c1cc(cc(c1)Cl)Cl
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
oxaziclomefone
IUPAC name
3-[1-(3,5-dichlorophenyl)-1-methylethyl]-2,3-dihydro-6-methyl-5-phenyl-4H-1,3-oxazin-4-one
SMILES
CC1=C(c2ccccc2)C(=O)N(CO1)C(C)(C)c1cc(cc(c1)Cl)Cl
INCHI
InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
FORMULA
C20H19Cl2NO2
Common name
oxaziclomefone
IUPAC name
3-[1-(3,5-dichlorophenyl)-1-methylethyl]-2,3-dihydro-6-methyl-5-phenyl-4H-1,3-oxazin-4-one
Molecular weight
376.276
clogP
5.251
clogS
-6.132
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
29.54
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF06366 | 6-methyl-5-phenyl-2,3-dihydro-1,3-oxazin-4-one |
|
CC1=C(C(=O)NCO1)c1ccccc1 | 0.0003 |
| FDBF06367 | 6-methyl-3-propan-2-yl-2H-1,3-oxazin-4-one |
|
C(C)(C)N1COC(=CC1=O)C | 0.0003 |
| FDBF06368 | 6-methyl-5-phenyl-3-propan-2-yl-2H-1,3-oxazin-4-one |
|
C(C)(C)N1COC(=C(C1=O)c1ccccc1)C | 0.0003 |
| FDBF06369 | 6-methyl-2,3-dihydro-1,3-oxazin-4-one |
|
CC1=CC(=O)NCO1 | 0.0003 |
6 ,
1
