5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole

C13H19N3O — CID 128744637

IUPAC5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1CC1Cc1noc(C2CC3CCC2NC3)n1
InChIInChI=1S/C13H19N3O/c1-2-8(1)6-12-15-13(17-16-12)10-5-9-3-4-11(10)14-7-9/h8-11,14H,1-7H2
InChIKeyLUOGYZBBDMCYCB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.88
Rot. Bonds3

About 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole

5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole (PubChem CID 128744637) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
PubChem CID128744637
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole
SMILESC1CC1Cc1noc(C2CC3CCC2NC3)n1
InChIInChI=1S/C13H19N3O/c1-2-8(1)6-12-15-13(17-16-12)10-5-9-3-4-11(10)14-7-9/h8-11,14H,1-7H2
InChIKeyLUOGYZBBDMCYCB-UHFFFAOYSA-N
XLogP1.88
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
3-(cyclopropylmethyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781083
(3R,5S)-5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911481
5-[(1R,6S)-2-azabicyclo[2.2.2]octan-6-yl]-3-(1-methylindol-3-yl)-1,2,4-oxadiazole
CID 57069743
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
3-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropane-1-carbonitrile
CID 106526048
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(oxolan-3-ylmethyl)-1,2,4-oxadiazole
CID 102894798

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole (CID 128744637) is 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole is C1CC1Cc1noc(C2CC3CCC2NC3)n1.
What is the InChIKey of 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
The InChIKey is LUOGYZBBDMCYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-8(1)6-12-15-13(17-16-12)10-5-9-3-4-11(10)14-7-9/h8-11,14H,1-7H2.
What are the key properties of 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole?
5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole has a molecular weight of 233.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.2]octan-6-yl)-3-(cyclopropylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 128744637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).