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

C13H21N3O2 — CID 172908952

IUPAC3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCOCC3)n2)CCCCN1
InChIInChI=1S/C13H21N3O2/c1-13(6-2-3-7-14-13)12-15-11(18-16-12)10-4-8-17-9-5-10/h10,14H,2-9H2,1H3
InChIKeyUXQDRFJPDXBCIO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds2

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

3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 172908952) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID172908952
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCOCC3)n2)CCCCN1
InChIInChI=1S/C13H21N3O2/c1-13(6-2-3-7-14-13)12-15-11(18-16-12)10-4-8-17-9-5-10/h10,14H,2-9H2,1H3
InChIKeyUXQDRFJPDXBCIO-UHFFFAOYSA-N
XLogP1.95
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116742298
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;iodomethane
CID 165104498
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 172908876
1-[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859662
3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115033888
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole (CID 172908952) is 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole is CC1(c2noc(C3CCOCC3)n2)CCCCN1.
What is the InChIKey of 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is UXQDRFJPDXBCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(6-2-3-7-14-13)12-15-11(18-16-12)10-4-8-17-9-5-10/h10,14H,2-9H2,1H3.
What are the key properties of 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole?
3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 251.33 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 172908952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).