3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole

C17H23N5O2 — CID 50983914

IUPAC3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCN(C4CCOCC4)CC3)c2)n1
InChIInChI=1S/C17H23N5O2/c1-13-19-17(24-20-13)14-2-5-18-16(12-14)22-8-6-21(7-9-22)15-3-10-23-11-4-15/h2,5,12,15H,3-4,6-11H2,1H3
InChIKeyJQOUTAJKRVQYRH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole

3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole (PubChem CID 50983914) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
PubChem CID50983914
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
SMILESCc1noc(-c2ccnc(N3CCN(C4CCOCC4)CC3)c2)n1
InChIInChI=1S/C17H23N5O2/c1-13-19-17(24-20-13)14-2-5-18-16(12-14)22-8-6-21(7-9-22)15-3-10-23-11-4-15/h2,5,12,15H,3-4,6-11H2,1H3
InChIKeyJQOUTAJKRVQYRH-UHFFFAOYSA-N
XLogP1.74
TPSA67.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-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 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole (CID 50983914) is 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole is Cc1noc(-c2ccnc(N3CCN(C4CCOCC4)CC3)c2)n1.
What is the InChIKey of 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is JQOUTAJKRVQYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-13-19-17(24-20-13)14-2-5-18-16(12-14)22-8-6-21(7-9-22)15-3-10-23-11-4-15/h2,5,12,15H,3-4,6-11H2,1H3.
What are the key properties of 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole?
3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 329.40 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-(oxan-4-yl)piperazin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 50983914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).