NRW

N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide

Created: 2016-03-23
Last modified:  2016-04-06

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of NRW

Chemical Component Summary

NameN,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5-carboxamide
FormulaC12 H13 N3 O2
Molecular Weight231.251
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc2cc(C(N(C)Cc1cccnc1)=O)on2
SMILESCACTVS3.385CN(Cc1cccnc1)C(=O)c2onc(C)c2
SMILESOpenEye OEToolkits1.7.6Cc1cc(on1)C(=O)N(C)Cc2cccnc2
Canonical SMILESCACTVS3.385 CN(Cc1cccnc1)C(=O)c2onc(C)c2
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(on1)C(=O)N(C)Cc2cccnc2
InChIInChI1.03 InChI=1S/C12H13N3O2/c1-9-6-11(17-14-9)12(16)15(2)8-10-4-3-5-13-7-10/h3-7H,8H2,1-2H3
InChIKeyInChI1.03 YRZCJLIACJLYBI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 53498840