Molecular Identity
Clomazone
2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one
PubChem CID: 54778
Clomazone is an isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. It has a role as a carotenoid biosynthesis inhibitor, a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is an isoxazolidinone and a member of monochlorobenzenes.
2D Structure
Properties
C12H14ClNO2
Molecular Formula
239.70
Molecular Weight
g/mol
239.0713
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
280
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CON(C1=O)CC2=CC=CC=C2Cl)CIsomeric SMILES
SMILES: CC1(CON(C1=O)CC2=CC=CC=C2Cl)CSynonyms(20)
Clomazone81777-89-1Dimethazone2-(2-Chlorobenzyl)-4,4-dimethylisoxazolidin-3-oneCommandGamitDTXSID1032355FMC 570202-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one570RAC03NF2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-oneFMC570202-((2-Chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinoneCHEBI:3751DTXCID9012355
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Clomazone
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