IUPAC name
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione
SMILES
C=CC1(C)C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)O1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
vinclozolin
IUPAC name
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione
SMILES
C=CC1(C)C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)O1
INCHI
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
FORMULA
C12H9Cl2NO3
Common name
vinclozolin
IUPAC name
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione
Molecular weight
286.111
clogP
3.175
clogS
-3.677
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
46.61
Number of Rings
2
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF06861 | (R)-3-(3,5-dichlorophenyl)-5-methyloxazolidine-2,4-dione |
|
[C@@H]1(OC(=O)N(C1=O)c1cc(cc(c1)Cl)Cl)C | 0.0007 |
| FDBF06863 | (R)-5-methyloxazolidine-2,4-dione |
|
[C@@H]1(OC(=O)NC1=O)C | 0.0007 |
| FDBF07651 | (5S)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione |
|
[C@]1(OC(=O)NC1=O)(C)C=C | 0.0003 |
3 ,
1
