X25

4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine

Created:2012-07-06
Last modified:  2014-09-05

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count56
Aromatic Bond Count21
2D diagram of X25

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Chemical Component Summary

Name4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine
Systematic Name (OpenEye OEToolkits)5-(3-methyl-4-piperidin-4-yloxy-1-benzofuran-2-yl)-3-(phenylmethyl)-1,2,4-oxadiazole
FormulaC23 H23 N3 O3
Molecular Weight389.447
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1c(onc1Cc2ccccc2)c4oc5cccc(OC3CCNCC3)c5c4C
SMILESCACTVS3.385Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
SMILESOpenEye OEToolkits1.9.2Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5
Canonical SMILESCACTVS3.385 Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5
InChIInChI1.03 InChI=1S/C23H23N3O3/c1-15-21-18(27-17-10-12-24-13-11-17)8-5-9-19(21)28-22(15)23-25-20(26-29-23)14-16-6-3-2-4-7-16/h2-9,17,24H,10-14H2,1H3
InChIKeyInChI1.03 QVBWWXFSCCHYFK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 71458877
ChEMBL CHEMBL2171217