IUPAC name
(1E)-[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
SMILES
CO/N=C(\c1ccccc1Oc1c(c(ncn1)Oc1ccccc1Cl)F)/C1=NOCCO1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
fluoxastrobin
IUPAC name
(1E)-[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
SMILES
CO/N=C(\c1ccccc1Oc1c(c(ncn1)Oc1ccccc1Cl)F)/C1=NOCCO1
INCHI
InChI=1S/C21H16ClFN4O5/c1-28-26-18(21-27-30-11-10-29-21)13-6-2-4-8-15(13)31-19-17(23)20(25-12-24-19)32-16-9-5-3-7-14(16)22/h2-9,12H,10-11H2,1H3/b26-18+
FORMULA
C21H16ClFN4O5
Common name
fluoxastrobin
IUPAC name
(1E)-[2-[[6-(2-chlorophenoxy)-5-fluoro-4-pyrimidinyl]oxy]phenyl](5,6-dihydro-1,4,2-dioxazin-3-yl)methanone O-methyloxime
Molecular weight
458.827
clogP
4.699
clogS
-6.132
HBond Acceptor
9
HBond Donor
0
Total Polar Surface Area
96.65
Number of Rings
4
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF01305 | 5-fluoropyrimidine |
|
Fc1cncnc1 | 0.0007 |
| FDBF02866 | 2-chlorophenol |
|
Clc1ccccc1O | 0.0055 |
| FDBF07137 | (5R)-5-fluoro-5H-pyrimidin-4-one |
|
O=C1N=CN=C[C@H]1F | 0.0003 |
| FDBF07138 | 5-fluoro-1H-pyrimidin-6-one |
|
c1nc[nH]c(=O)c1F | 0.0003 |
| FDBF07139 | 5-fluoro-4-phenoxypyrimidine |
|
c1c(cccc1)Oc1ncncc1F | 0.0003 |
| FDBF07140 | (5R)-5-fluoro-1H-pyrimidine-4,6-dione |
|
O=C1N=CNC(=O)[C@H]1F | 0.0003 |
| FDBF07141 | 5-fluoro-4-phenoxy-1H-pyrimidin-6-one |
|
c1c(cccc1)Oc1nc[nH]c(=O)c1F | 0.0003 |
10 ,
2
