3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

C13H23N5O2 — CID 102655534

IUPAC3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C)C(c2noc(COC3(C)CNC3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-13(8-14-9-13)19-7-11-15-12(16-20-11)10-6-17(2)4-5-18(10)3/h10,14H,4-9H2,1-3H3
InChIKeyGLKQEVCYAGANJW-UHFFFAOYSA-N
MW281.36 g/mol
LogP-0.13
Rot. Bonds4

About 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole

3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (PubChem CID 102655534) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
PubChem CID102655534
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
SMILESCN1CCN(C)C(c2noc(COC3(C)CNC3)n2)C1
InChIInChI=1S/C13H23N5O2/c1-13(8-14-9-13)19-7-11-15-12(16-20-11)10-6-17(2)4-5-18(10)3/h10,14H,4-9H2,1-3H3
InChIKeyGLKQEVCYAGANJW-UHFFFAOYSA-N
XLogP-0.13
TPSA66.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79659293
3-(3-ethylcyclopentyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655502
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 79666898
4-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 79665065
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79666053
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 79666471
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-ethylbutan-2-amine
CID 79667316
5-[(3-methylazetidin-3-yl)oxymethyl]-3-(1-methylcyclopropyl)-1,2,4-oxadiazole
CID 102655553
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525786
(2S)-2-[[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylpentan-1-amine
CID 104916155

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole (CID 102655534) is 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is CN1CCN(C)C(c2noc(COC3(C)CNC3)n2)C1.
What is the InChIKey of 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
The InChIKey is GLKQEVCYAGANJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-13(8-14-9-13)19-7-11-15-12(16-20-11)10-6-17(2)4-5-18(10)3/h10,14H,4-9H2,1-3H3.
What are the key properties of 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole?
3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole has a molecular weight of 281.36 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethylpiperazin-2-yl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 102655534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).