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

C10H15ClN2O2 — CID 10176993

IUPAC3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride
SMILESCl.c1cc(O[C@H]2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2.ClH/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10;/h3,6,8-9H,1-2,4-5,7H2;1H/t9-;/m0./s1
InChIKeyDLKKYFUAVVVSBD-FVGYRXGTSA-N
MW230.69 g/mol
LogP1.57
Rot. Bonds2

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

3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride (PubChem CID 10176993) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride
PubChem CID10176993
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Name3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride
SMILESCl.c1cc(O[C@H]2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2.ClH/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10;/h3,6,8-9H,1-2,4-5,7H2;1H/t9-;/m0./s1
InChIKeyDLKKYFUAVVVSBD-FVGYRXGTSA-N
XLogP1.57
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride?
The IUPAC name of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride (CID 10176993) is 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride?
The canonical SMILES for 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride is Cl.c1cc(O[C@H]2CN3CCC2CC3)no1.
What is the InChIKey of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride?
The InChIKey is DLKKYFUAVVVSBD-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-4-12-5-2-8(1)9(7-12)14-10-3-6-13-11-10;/h3,6,8-9H,1-2,4-5,7H2;1H/t9-;/m0./s1.
What are the key properties of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride?
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 10176993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).