5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole

C13H20N4O — CID 112680499

IUPAC5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
SMILESCN1C2CCC1CC(c1noc(C3CNC3)n1)C2
InChIInChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)12-15-13(18-16-12)9-6-14-7-9/h8-11,14H,2-7H2,1H3
InChIKeyFJNMWXNBJBTEPY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.10
Rot. Bonds2

About 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole

5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole (PubChem CID 112680499) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
PubChem CID112680499
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
SMILESCN1C2CCC1CC(c1noc(C3CNC3)n1)C2
InChIInChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)12-15-13(18-16-12)9-6-14-7-9/h8-11,14H,2-7H2,1H3
InChIKeyFJNMWXNBJBTEPY-UHFFFAOYSA-N
XLogP1.10
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 112680492
(3S,5S)-5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912517
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
(1S)-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881230
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
N-ethyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 115997591

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole (CID 112680499) is 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole is CN1C2CCC1CC(c1noc(C3CNC3)n1)C2.
What is the InChIKey of 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole?
The InChIKey is FJNMWXNBJBTEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-10-2-3-11(17)5-8(4-10)12-15-13(18-16-12)9-6-14-7-9/h8-11,14H,2-7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole has a molecular weight of 248.33 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112680499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).