5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

C13H17N3OS — CID 114429878

IUPAC5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C13H17N3OS/c1-2-9-3-5-14-11(7-9)13-15-12(16-17-13)10-4-6-18-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyVTHFDOLLUZOXCP-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.25
Rot. Bonds3

About 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole

5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 114429878) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID114429878
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C13H17N3OS/c1-2-9-3-5-14-11(7-9)13-15-12(16-17-13)10-4-6-18-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3
InChIKeyVTHFDOLLUZOXCP-UHFFFAOYSA-N
XLogP3.25
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114429997
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 114429878) is 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is CCC1CCNC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is VTHFDOLLUZOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-9-3-5-14-11(7-9)13-15-12(16-17-13)10-4-6-18-8-10/h4,6,8-9,11,14H,2-3,5,7H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 263.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 114429878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).