2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride

C11H17ClN2O — CID 14685513

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(C2CN3CCC2CC3)n1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13;/h7,9-10H,2-6H2,1H3;1H
InChIKeyKOQHEYZHGRLTNK-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.21
Rot. Bonds1

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride

2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride (PubChem CID 14685513) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride
PubChem CID14685513
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride
SMILESCc1coc(C2CN3CCC2CC3)n1.Cl
InChIInChI=1S/C11H16N2O.ClH/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13;/h7,9-10H,2-6H2,1H3;1H
InChIKeyKOQHEYZHGRLTNK-UHFFFAOYSA-N
XLogP2.21
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride (CID 14685513) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride is Cc1coc(C2CN3CCC2CC3)n1.Cl.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride?
The InChIKey is KOQHEYZHGRLTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c1-8-7-14-11(12-8)10-6-13-4-2-9(10)3-5-13;/h7,9-10H,2-6H2,1H3;1H.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride?
2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-4-methyl-1,3-oxazole;hydrochloride is sourced from PubChem (CID 14685513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).