IUPAC name
3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-2,4-oxazolidinedione
SMILES
CC1(COC)C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)O1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
myclozolin
IUPAC name
3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-2,4-oxazolidinedione
SMILES
CC1(COC)C(=O)N(c2cc(cc(c2)Cl)Cl)C(=O)O1
INCHI
InChI=1S/C12H11Cl2NO4/c1-12(6-18-2)10(16)15(11(17)19-12)9-4-7(13)3-8(14)5-9/h3-5H,6H2,1-2H3
FORMULA
C12H11Cl2NO4
Common name
myclozolin
IUPAC name
3-(3,5-dichlorophenyl)-5-(methoxymethyl)-5-methyl-2,4-oxazolidinedione
Molecular weight
304.126
clogP
2.730
clogS
-3.756
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
55.84
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00158 | methoxymethane |
|
COC | 0.0374 |
| FDBF06940 | 5,5-dimethyloxazolidine-2,4-dione |
|
CC1(OC(=O)NC1=O)C | 0.0007 |
| FDBF07062 | (5S)-5-methyl-1,3-oxazolidine-2,4-dione |
|
C[C@@H]1OC(=O)NC1=O | 0.0007 |
| FDBF07347 | (5S)-3-(3,5-dichlorophenyl)-5-methyl-1,3-oxazolidine-2,4-dione |
|
c1(cc(cc(c1)Cl)Cl)N1C(=O)O[C@@H](C)C1=O | 0.0003 |
| FDBF07348 | 3-(3,5-dichlorophenyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione |
|
c1(cc(cc(c1)Cl)Cl)N1C(=O)OC(C)(C)C1=O | 0.0003 |
5 ,
1
