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

C10H14N2O2 — CID 10176994

IUPAC3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole
SMILESc1cc(O[C@H]2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2/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/t9-/m0/s1
InChIKeyFBHYIUWJDHHCCJ-VIFPVBQESA-N
MW194.23 g/mol
LogP1.15
Rot. Bonds2

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

3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole (PubChem CID 10176994) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole.

Molecular Properties

Compound Name3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole
PubChem CID10176994
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole
SMILESc1cc(O[C@H]2CN3CCC2CC3)no1
InChIInChI=1S/C10H14N2O2/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/t9-/m0/s1
InChIKeyFBHYIUWJDHHCCJ-VIFPVBQESA-N
XLogP1.15
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.15
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?
The IUPAC name of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole (CID 10176994) is 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole.
What is the SMILES notation for 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole?
The canonical SMILES for 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole is 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?
The InChIKey is FBHYIUWJDHHCCJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/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/t9-/m0/s1.
What are the key properties of 3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole?
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole has a molecular weight of 194.23 g/mol, XLogP of 1.15, 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 is sourced from PubChem (CID 10176994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).