3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C14H18N4O — CID 79608887

IUPAC3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CC3CCNCC3)n2)n1
InChIInChI=1S/C14H18N4O/c1-10-3-2-4-12(16-10)14-17-13(19-18-14)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3
InChIKeyUCTKYNSDRIJLSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.98
Rot. Bonds3

About 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 79608887) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID79608887
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(CC3CCNCC3)n2)n1
InChIInChI=1S/C14H18N4O/c1-10-3-2-4-12(16-10)14-17-13(19-18-14)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3
InChIKeyUCTKYNSDRIJLSM-UHFFFAOYSA-N
XLogP1.98
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 79608887) is 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(CC3CCNCC3)n2)n1.
What is the InChIKey of 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is UCTKYNSDRIJLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-3-2-4-12(16-10)14-17-13(19-18-14)9-11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3.
What are the key properties of 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79608887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).