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

C13H17N3OS — CID 54944807

IUPAC5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(C3CCCCN3)no2)s1
InChIInChI=1S/C13H17N3OS/c1-2-9-6-7-11(18-9)13-15-12(16-17-13)10-5-3-4-8-14-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyCJMWLHPNVPGJNC-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.18
Rot. Bonds3

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

5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 54944807) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID54944807
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCc1ccc(-c2nc(C3CCCCN3)no2)s1
InChIInChI=1S/C13H17N3OS/c1-2-9-6-7-11(18-9)13-15-12(16-17-13)10-5-3-4-8-14-10/h6-7,10,14H,2-5,8H2,1H3
InChIKeyCJMWLHPNVPGJNC-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
5-(2,4-dimethyl-1,3-thiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 103619120
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(1,3-diethylpyrazol-5-yl)-1,2,4-oxadiazole
CID 104541133
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65207261
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
3-(azepan-2-yl)-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 104541146
3-(azepan-2-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 103972221
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106753992

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 54944807) is 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is CCc1ccc(-c2nc(C3CCCCN3)no2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is CJMWLHPNVPGJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-9-6-7-11(18-9)13-15-12(16-17-13)10-5-3-4-8-14-10/h6-7,10,14H,2-5,8H2,1H3.
What are the key properties of 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 263.37 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 54944807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).