5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole

C14H21N3O2 — CID 107070929

IUPAC5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C14H21N3O2/c1-8-3-2-6-15-12(8)14-16-13(17-19-14)10-7-9-4-5-11(10)18-9/h8-12,15H,2-7H2,1H3
InChIKeyYAYHKKLBARCIPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds2

About 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole

5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole (PubChem CID 107070929) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
PubChem CID107070929
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
SMILESCC1CCCNC1c1nc(C2CC3CCC2O3)no1
InChIInChI=1S/C14H21N3O2/c1-8-3-2-6-15-12(8)14-16-13(17-19-14)10-7-9-4-5-11(10)18-9/h8-12,15H,2-7H2,1H3
InChIKeyYAYHKKLBARCIPY-UHFFFAOYSA-N
XLogP2.17
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
(3S,5S)-5-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912307
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
2-[3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106525179
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786
3-tert-butyl-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070855
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-cyclooctyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781089
5-(2-fluorospiro[3.3]heptan-6-yl)-3-[(1R,2S,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-1,2,4-oxadiazole
CID 146150034
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070934

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole (CID 107070929) is 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole is CC1CCCNC1c1nc(C2CC3CCC2O3)no1.
What is the InChIKey of 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
The InChIKey is YAYHKKLBARCIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-8-3-2-6-15-12(8)14-16-13(17-19-14)10-7-9-4-5-11(10)18-9/h8-12,15H,2-7H2,1H3.
What are the key properties of 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole?
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole has a molecular weight of 263.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).