IKG

~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide

Created: 2023-08-01
Last modified:  2023-11-22

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count1
Bond Count60
Aromatic Bond Count17
2D diagram of IKG
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Chemical Component Summary

Name~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
FormulaC24 H23 N5 O5
Molecular Weight461.47
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1ccc(cc1OC)c2noc(n2)C(=O)N[CH](Cc3ccc(cc3)C(=O)N4CCC4)C#N
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1OC)c2nc(on2)C(=O)NC(Cc3ccc(cc3)C(=O)N4CCC4)C#N
Canonical SMILESCACTVS3.385 COc1ccc(cc1OC)c2noc(n2)C(=O)N[C@H](Cc3ccc(cc3)C(=O)N4CCC4)C#N
Canonical SMILESOpenEye OEToolkits2.0.7 COc1ccc(cc1OC)c2nc(on2)C(=O)N[C@H](Cc3ccc(cc3)C(=O)N4CCC4)C#N
InChIInChI1.06 InChI=1S/C24H23N5O5/c1-32-19-9-8-17(13-20(19)33-2)21-27-23(34-28-21)22(30)26-18(14-25)12-15-4-6-16(7-5-15)24(31)29-10-3-11-29/h4-9,13,18H,3,10-12H2,1-2H3,(H,26,30)/t18-/m1/s1
InChIKeyInChI1.06 SMNJIXFCHIEXRX-GOSISDBHSA-N

Related Resource References

Resource NameReference
PubChem 169410439