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

C12H15N3OS — CID 114424841

IUPAC5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C12H15N3OS/c1-8-2-4-13-10(6-8)12-14-11(15-16-12)9-3-5-17-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3
InChIKeyFMRLQPPFDIRJFZ-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.86
Rot. Bonds2

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

5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 114424841) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID114424841
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ccsc3)no2)C1
InChIInChI=1S/C12H15N3OS/c1-8-2-4-13-10(6-8)12-14-11(15-16-12)9-3-5-17-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3
InChIKeyFMRLQPPFDIRJFZ-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
5-(4-fluoropyrrolidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 121199950
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820
3-(2-methyl-1,3-oxazol-4-yl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114282534
5-(4-methylpiperidin-2-yl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole
CID 114424980
5-(4-methylpiperidin-2-yl)-3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazole
CID 114876582
5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 22361901
3-(3-ethyl-2-pyridinyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424986
5-(oxolan-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 45208254

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole (CID 114424841) is 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is CC1CCNC(c2nc(-c3ccsc3)no2)C1.
What is the InChIKey of 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is FMRLQPPFDIRJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-2-4-13-10(6-8)12-14-11(15-16-12)9-3-5-17-7-9/h3,5,7-8,10,13H,2,4,6H2,1H3.
What are the key properties of 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole?
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 249.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 114424841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).