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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1 entries where X25 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	21

2D diagram of X25

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Chemical Component Summary
Name	4-{[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
Formula	C₂₃ H₂₃ N₃ O₃
Molecular Weight	389.447
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(onc1Cc2ccccc2)c4oc5cccc(OC3CCNCC3)c5c4C
SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5
Canonical SMILES	CACTVS	3.385	Cc1c(oc2cccc(OC3CCNCC3)c12)c4onc(Cc5ccccc5)n4
Canonical SMILES	OpenEye OEToolkits	1.9.2	Cc1c2c(cccc2OC3CCNCC3)oc1c4nc(no4)Cc5ccccc5
InChI	InChI	1.03	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
InChIKey	InChI	1.03	QVBWWXFSCCHYFK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71458877
ChEMBL	CHEMBL2171217

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