IUPAC name
N′-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-3-chlorophenyl]-N,N-dimethylurea
SMILES
CC(C)(C)c1nn(c2ccc(cc2Cl)NC(=O)N(C)C)c(=O)o1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
dimefuron
IUPAC name
N′-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-3-chlorophenyl]-N,N-dimethylurea
SMILES
CC(C)(C)c1nn(c2ccc(cc2Cl)NC(=O)N(C)C)c(=O)o1
INCHI
InChI=1S/C15H19ClN4O3/c1-15(2,3)12-18-20(14(22)23-12)11-7-6-9(8-10(11)16)17-13(21)19(4)5/h6-8H,1-5H3,(H,17,21)
FORMULA
C15H19ClN4O3
Common name
dimefuron
IUPAC name
N′-[4-(5-tert-butyl-2-oxo-1,3,4-oxadiazol-3(2H)-yl)-3-chlorophenyl]-N,N-dimethylurea
Molecular weight
338.789
clogP
2.069
clogS
-3.435
HBond Acceptor
6
HBond Donor
1
Total Polar Surface Area
83.86
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00066 | N-methylmethanamine |
|
N(C)C | 0.0914 |
| FDBF05271 | 5-oxo-4,5-dihydro-1,3,4-oxadiazol-3-ium |
|
O=[C+]1NN=CO1 | 0.0014 |
| FDBF05867 | 3-(3-chlorophenyl)-1,1-dimethylurea |
|
N(C)(C)C(=O)Nc1cc(ccc1)Cl | 0.0014 |
| FDBF05868 | (1Z)-N-(3-chloro-4-ethoxyphenyl)methanimidic acid |
|
c1(c(cc(cc1)NC=O)Cl)OCC | 0.0014 |
| FDBF06011 | 2-(tert-butyl)-5-oxo-4,5-dihydro-1,3,4-oxadiazol-3-ium |
|
CC(C)(C)C1=NN[C+](=O)O1 | 0.0010 |
6 ,
1
