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

C13H16N4O — CID 106753992

IUPAC5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCCCN3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-9-8-10(5-7-14-9)13-16-12(17-18-13)11-4-2-3-6-15-11/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyGJXBDEUBXQDMOA-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.25
Rot. Bonds2

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

5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 106753992) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID106753992
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C3CCCCN3)no2)ccn1
InChIInChI=1S/C13H16N4O/c1-9-8-10(5-7-14-9)13-16-12(17-18-13)11-4-2-3-6-15-11/h5,7-8,11,15H,2-4,6H2,1H3
InChIKeyGJXBDEUBXQDMOA-UHFFFAOYSA-N
XLogP2.25
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-2-yl)-5-(3,5-dimethylphenyl)-1,2,4-oxadiazole
CID 103972133
3-pyrrolidin-2-yl-5-quinoxalin-6-yl-1,2,4-oxadiazole
CID 63317724
3-[3-[(2S)-azepan-2-yl]-1,2,4-oxadiazol-5-yl]benzonitrile
CID 97345748
5-(3,4-dimethoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916810
5-(4-methoxyphenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916010
3-[(2R)-piperidin-2-yl]-5-(1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 129368246
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
3-piperidin-2-yl-5-(1H-pyrrol-2-yl)-1,2,4-oxadiazole
CID 136920524
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
5-(2-methoxy-3-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 55023638

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 106753992) is 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole is Cc1cc(-c2nc(C3CCCCN3)no2)ccn1.
What is the InChIKey of 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is GJXBDEUBXQDMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-8-10(5-7-14-9)13-16-12(17-18-13)11-4-2-3-6-15-11/h5,7-8,11,15H,2-4,6H2,1H3.
What are the key properties of 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-4-pyridinyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 106753992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).