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JGA

Summary
Name:N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
Formula:C7 H11 N3 O2
Formal charge:0
Formula weight:169.181 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits2.0.61-ethyl-3-(5-methyl-1,2-oxazol-3-yl)urea

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCNC(=O)Nc1noc(c1)C
InChIInChI1.03InChI=1S/C7H11N3O2/c1-3-8-7(11)9-6-4-5(2)12-10-6/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyInChI1.03OLTOJZGRSVNYRB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCNC(=O)Nc1cc(C)on1
SMILESCACTVS3.385CCNC(=O)Nc1cc(C)on1
SMILES_CANONICALOpenEye OEToolkits2.0.6CCNC(=O)Nc1cc(on1)C
SMILESOpenEye OEToolkits2.0.6CCNC(=O)Nc1cc(on1)C

226707

数据于2024-10-30公开中

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