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

C13H16N4O — CID 63123750

IUPAC5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccncc3)no2)CCNCC1
InChIInChI=1S/C13H16N4O/c1-13(4-8-15-9-5-13)12-16-11(17-18-12)10-2-6-14-7-3-10/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyQVSXTFHGBBELID-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.77
Rot. Bonds2

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

5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 63123750) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID63123750
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC1(c2nc(-c3ccncc3)no2)CCNCC1
InChIInChI=1S/C13H16N4O/c1-13(4-8-15-9-5-13)12-16-11(17-18-12)10-2-6-14-7-3-10/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyQVSXTFHGBBELID-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123728
4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950041
5-(4-methylpiperidin-4-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 63124283
5-(4-methylpiperidin-4-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole
CID 63124239
4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000
5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 139003541
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine;hydrochloride
CID 75526673
4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-4-carboxylic acid
CID 82625991
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491
3-(3-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115565653
[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 115436480

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 63123750) is 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CC1(c2nc(-c3ccncc3)no2)CCNCC1.
What is the InChIKey of 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is QVSXTFHGBBELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(4-8-15-9-5-13)12-16-11(17-18-12)10-2-6-14-7-3-10/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 244.30 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63123750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).