Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1IPE

Summary
Name:Oxaziclomefone
Synonyms:3-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one
Formula:C20 H19 Cl2 N O2
Formal charge:0
Formula weight:376.276 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[2-[3,5-bis(chloranyl)phenyl]propan-2-yl]-6-methyl-5-phenyl-2~{H}-1,3-oxazin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H19Cl2NO2/c1-13-18(14-7-5-4-6-8-14)19(24)23(12-25-13)20(2,3)15-9-16(21)11-17(22)10-15/h4-11H,12H2,1-3H3
InChIKeyInChI1.06FCOHEOSCARXMMS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3
SMILESCACTVS3.385CC1=C(C(=O)N(CO1)C(C)(C)c2cc(Cl)cc(Cl)c2)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC1=C(C(=O)N(CO1)C(C)(C)c2cc(cc(c2)Cl)Cl)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CC1=C(C(=O)N(CO1)C(C)(C)c2cc(cc(c2)Cl)Cl)c3ccccc3

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon