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

C12H15N3OS — CID 62502676

IUPAC5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H15N3OS/c1-2-6-13-10(5-1)12-14-11(15-16-12)8-9-4-3-7-17-9/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyIJAKBYGOHIIFSL-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.54
Rot. Bonds3

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

5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 62502676) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID62502676
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
SMILESc1csc(Cc2noc(C3CCCCN3)n2)c1
InChIInChI=1S/C12H15N3OS/c1-2-6-13-10(5-1)12-14-11(15-16-12)8-9-4-3-7-17-9/h3-4,7,10,13H,1-2,5-6,8H2
InChIKeyIJAKBYGOHIIFSL-UHFFFAOYSA-N
XLogP2.54
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R)-azetidin-2-yl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 120837199
5-piperidin-2-yl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080825
3-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914913
3-(2-phenoxyethyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43105243
5-(azepan-2-yl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 64561284
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104914918
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55200857
4-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 55201047
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55087040
3-[(2-methoxyphenyl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 163339408

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole (CID 62502676) is 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is c1csc(Cc2noc(C3CCCCN3)n2)c1.
What is the InChIKey of 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is IJAKBYGOHIIFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-2-6-13-10(5-1)12-14-11(15-16-12)8-9-4-3-7-17-9/h3-4,7,10,13H,1-2,5-6,8H2.
What are the key properties of 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole?
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 249.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62502676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).