5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

C14H18N4O — CID 107070924

IUPAC5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3NCCCC3C)n2)n1
InChIInChI=1S/C14H18N4O/c1-9-5-4-8-15-12(9)14-17-13(18-19-14)11-7-3-6-10(2)16-11/h3,6-7,9,12,15H,4-5,8H2,1-2H3
InChIKeyAHMKHMDAUAZUGY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds2

About 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole

5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 107070924) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID107070924
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3NCCCC3C)n2)n1
InChIInChI=1S/C14H18N4O/c1-9-5-4-8-15-12(9)14-17-13(18-19-14)11-7-3-6-10(2)16-11/h3,6-7,9,12,15H,4-5,8H2,1-2H3
InChIKeyAHMKHMDAUAZUGY-UHFFFAOYSA-N
XLogP2.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-methylpiperidin-2-yl)-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 107071090
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenol
CID 136896348
4-[5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888941
5-(azetidin-3-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole;hydrochloride
CID 72716128
3-(3-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780773
5-(3-methylpiperidin-2-yl)-3-(2-nitrophenyl)-1,2,4-oxadiazole
CID 107070898
(3S,5S)-5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912294
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 114350998
3-(1-benzofuran-2-yl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780929
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231
N-ethyl-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63553864
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole (CID 107070924) is 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3NCCCC3C)n2)n1.
What is the InChIKey of 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is AHMKHMDAUAZUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-4-8-15-12(9)14-17-13(18-19-14)11-7-3-6-10(2)16-11/h3,6-7,9,12,15H,4-5,8H2,1-2H3.
What are the key properties of 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole?
5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-2-yl)-3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).