IUPAC name
3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
SMILES
CC(C)Oc1cc(c(cc1Cl)Cl)n1c(=O)oc(C(C)(C)C)n1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
oxadiazon
IUPAC name
3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
SMILES
CC(C)Oc1cc(c(cc1Cl)Cl)n1c(=O)oc(C(C)(C)C)n1
INCHI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
FORMULA
C15H18Cl2N2O3
Common name
oxadiazon
IUPAC name
3-[2,4-dichloro-5-(1-methylethoxy)phenyl]-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
Molecular weight
345.221
clogP
4.046
clogS
-5.132
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
57.26
Number of Rings
2
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00042 | propan-2-ol |
|
CC(O)C | 0.0278 |
| FDBF03634 | 2,4-dichlorophenol |
|
Clc1c(ccc(c1)Cl)O | 0.0079 |
| FDBF05271 | 5-oxo-4,5-dihydro-1,3,4-oxadiazol-3-ium |
|
O=[C+]1NN=CO1 | 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 |
| FDBF06361 | 2-(2,4-dichlorophenyl)-BLAHcyclopent-3-en-1-one |
|
c1c(cc(c(c1)N1N=COC1=O)Cl)Cl | 0.0007 |
7 ,
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