5Q7

5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile

Created: 2015-11-09
Last modified:  2016-04-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count23
Aromatic Bond Count5
2D diagram of 5Q7

Chemical Component Summary

Name5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
Systematic Name (OpenEye OEToolkits)5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile
FormulaC8 H11 N3 O
Molecular Weight165.192
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)Cc1oc(N)c(n1)C#N
SMILESOpenEye OEToolkits2.0.4CC(C)Cc1nc(c(o1)N)C#N
Canonical SMILESCACTVS3.385 CC(C)Cc1oc(N)c(n1)C#N
Canonical SMILESOpenEye OEToolkits2.0.4 CC(C)Cc1nc(c(o1)N)C#N
InChIInChI1.03 InChI=1S/C8H11N3O/c1-5(2)3-7-11-6(4-9)8(10)12-7/h5H,3,10H2,1-2H3
InChIKeyInChI1.03 SLPCJMOIVJSWSS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 66008659