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Summary Geometry Related PDB entries

RF1

Summary

Name:	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
Formula:	C16 H21 N3 O3 S
Formal charge:	0
Formula weight:	335.421 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
OpenEye OEToolkits	1.5.0	tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)CC3
SMILES_CANONICAL	CACTVS	3.341	CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
SMILES	CACTVS	3.341	CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3cccs3
InChI	InChI	1.03	InChI=1S/C16H21N3O3S/c1-16(2,3)21-15(20)19-8-6-11(7-9-19)14-17-13(18-22-14)12-5-4-10-23-12/h4-5,10-11H,6-9H2,1-3H3
InChIKey	InChI	1.03	METBQPRXNZHZMB-UHFFFAOYSA-N

246704

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