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FJ2

Summary
Name:N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
Formula:C18 H15 Cl N2 O5
Formal charge:0
Formula weight:374.775 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
OpenEye OEToolkits1.7.6N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3c(O)cc(O)c(c1noc(c1c2ccc(OC)cc2)NC(=O)C)c3
InChIInChI1.03InChI=1S/C18H15ClN2O5/c1-9(22)20-18-16(10-3-5-11(25-2)6-4-10)17(21-26-18)12-7-13(19)15(24)8-14(12)23/h3-8,23-24H,1-2H3,(H,20,22)
InChIKeyInChI1.03ZPXWZHXHEMSPJU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Cl)c(O)cc3O
SMILESCACTVS3.385COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc(Cl)c(O)cc3O
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC
SMILESOpenEye OEToolkits1.7.6CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(cc3)OC

217705

PDB entries from 2024-03-27

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