IUPAC name
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione
SMILES
CC(=C1C(=O)N(c2cc(c(cc2F)Cl)OC2CCCC2)C(=O)O1)C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
pentoxazone
IUPAC name
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione
SMILES
CC(=C1C(=O)N(c2cc(c(cc2F)Cl)OC2CCCC2)C(=O)O1)C
INCHI
InChI=1S/C17H17ClFNO4/c1-9(2)15-16(21)20(17(22)24-15)13-8-14(11(18)7-12(13)19)23-10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3
FORMULA
C17H17ClFNO4
Common name
pentoxazone
IUPAC name
3-[4-chloro-5-(cyclopentyloxy)-2-fluorophenyl]-5-(1-methylethylidene)-2,4-oxazolidinedione
Molecular weight
353.773
clogP
3.804
clogS
-4.335
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
55.84
Number of Rings
3
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00685 | 1-chloro-3-fluoro-benzene |
|
Clc1cc(ccc1)F | 0.0055 |
| FDBF01245 | cyclopentane |
|
C1CCCC1 | 0.0034 |
| FDBF02223 | cyclopentanol |
|
C1(CCCC1)O | 0.0014 |
| FDBF06148 | 2-chloro-4-fluorophenol |
|
Oc1c(cc(cc1)F)Cl | 0.0017 |
| FDBF06382 | 3-(4-chloro-2-fluorophenyl)-5-propan-2-ylidene-1,3-oxazolidine-2,4-dione |
|
c1(c(cc(cc1)Cl)F)N1C(=O)OC(=C(C)C)C1=O | 0.0003 |
| FDBF06384 | 5-propan-2-ylidene-1,3-oxazolidine-2,4-dione |
|
CC(=C1OC(=O)NC1=O)C | 0.0003 |
6 ,
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