5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

C13H17N5O — CID 82713825

IUPAC5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CNCCN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H17N5O/c1-10-8-14-6-7-18(10)9-12-16-13(17-19-12)11-4-2-3-5-15-11/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1
InChIKeyRECRAXWQGHKCMT-SNVBAGLBSA-N
MW259.31 g/mol
LogP0.93
Rot. Bonds3

About 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 82713825) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID82713825
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESC[C@@H]1CNCCN1Cc1nc(-c2ccccn2)no1
InChIInChI=1S/C13H17N5O/c1-10-8-14-6-7-18(10)9-12-16-13(17-19-12)11-4-2-3-5-15-11/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1
InChIKeyRECRAXWQGHKCMT-SNVBAGLBSA-N
XLogP0.93
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 82713825) is 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is C[C@@H]1CNCCN1Cc1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is RECRAXWQGHKCMT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-8-14-6-7-18(10)9-12-16-13(17-19-12)11-4-2-3-5-15-11/h2-5,10,14H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82713825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).