5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole

C11H16N2O — CID 14685516

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2CN3CCC2CC3)on1
InChIInChI=1S/C11H16N2O/c1-8-6-11(14-12-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyGKNGDZXQVDDVRS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.79
Rot. Bonds1

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole (PubChem CID 14685516) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole
PubChem CID14685516
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole
SMILESCc1cc(C2CN3CCC2CC3)on1
InChIInChI=1S/C11H16N2O/c1-8-6-11(14-12-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyGKNGDZXQVDDVRS-UHFFFAOYSA-N
XLogP1.79
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole (CID 14685516) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole is Cc1cc(C2CN3CCC2CC3)on1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole?
The InChIKey is GKNGDZXQVDDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-11(14-12-8)10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole has a molecular weight of 192.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 14685516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).