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

C14H23N3O — CID 164773960

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(C2CN3CCC2CC3)n1
InChIInChI=1S/C14H23N3O/c1-2-3-4-5-13-15-14(18-16-13)12-10-17-8-6-11(12)7-9-17/h11-12H,2-10H2,1H3
InChIKeyQTSMHDGKWPNVTI-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.61
Rot. Bonds5

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

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole (PubChem CID 164773960) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
PubChem CID164773960
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
SMILESCCCCCc1noc(C2CN3CCC2CC3)n1
InChIInChI=1S/C14H23N3O/c1-2-3-4-5-13-15-14(18-16-13)12-10-17-8-6-11(12)7-9-17/h11-12H,2-10H2,1H3
InChIKeyQTSMHDGKWPNVTI-UHFFFAOYSA-N
XLogP2.61
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]hexadecanamide
CID 19797365
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]formamide;hydrochloride
CID 88506378
[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-(2,2-dimethylpropyl)carbamic acid;hydrochloride
CID 70382592
(2S)-2-(3-heptadecyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide
CID 129286703
3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine
CID 79405619
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 14810882
3-heptyl-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole
CID 11776901
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexanecarboxamide
CID 19797372
5-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-3-butyl-1,2,4-oxadiazole
CID 79404883

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole (CID 164773960) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole is CCCCCc1noc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole?
The InChIKey is QTSMHDGKWPNVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-4-5-13-15-14(18-16-13)12-10-17-8-6-11(12)7-9-17/h11-12H,2-10H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole is sourced from PubChem (CID 164773960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).