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Summary Geometry Related PDB entries

3SF

Summary

Name:	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
Formula:	C15 H17 F3 N4 O2 S
Formal charge:	0
Formula weight:	374.381 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
OpenEye OEToolkits	1.7.2	5,5,5-tris(fluoranyl)-1-[4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]pentan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	FC(F)(F)CCCC(=O)N3CCC(c1onc(n1)c2nccs2)CC3
InChI	InChI	1.03	InChI=1S/C15H17F3N4O2S/c16-15(17,18)5-1-2-11(23)22-7-3-10(4-8-22)13-20-12(21-24-13)14-19-6-9-25-14/h6,9-10H,1-5,7-8H2
InChIKey	InChI	1.03	WIFDOUQOJULUSV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	FC(F)(F)CCCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3
SMILES	CACTVS	3.370	FC(F)(F)CCCC(=O)N1CCC(CC1)c2onc(n2)c3sccn3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F
SMILES	OpenEye OEToolkits	1.7.2	c1csc(n1)c2nc(on2)C3CCN(CC3)C(=O)CCCC(F)(F)F

226262

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