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

C11H16N2O2 — CID 19038103

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole
SMILESCc1cc(OC2CN3CCC2CC3)no1
InChIInChI=1S/C11H16N2O2/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyIUDJBBRDSSYYPT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.46
Rot. Bonds2

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

3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole (PubChem CID 19038103) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole
PubChem CID19038103
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole
SMILESCc1cc(OC2CN3CCC2CC3)no1
InChIInChI=1S/C11H16N2O2/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3
InChIKeyIUDJBBRDSSYYPT-UHFFFAOYSA-N
XLogP1.46
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(3-Piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-morpholine
CID 11507838
3-(3-(Piperidin-1-yl)propoxy)-5-(piperidin-1-ylmethyl)isoxazole
CID 11630921
(2-Methoxy-ethyl)-[3-(3-piperidin-1-yl-propoxy)-isoxazol-5-ylmethyl]-amine
CID 11666530
(Z)-N-[(3-methoxy-1,2-oxazol-5-yl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine;hydrochloride
CID 49796398
(E)-1-(1-azabicyclo[2.2.2]octan-3-yl)-N-[(3-methoxy-1,2-oxazol-5-yl)methoxy]methanimine;hydrochloride
CID 49796408
3-(3-Quinuclidinyloxy)isoxazole
CID 10198049
3-(1-Azabicyclo[2.2.2]octan-3-yloxy)-4-fluoro-5-methyl-1,2-oxazole
CID 19038064
(Z)-N-[(3-methoxy-1,2-oxazol-5-yl)methoxy]-1-azabicyclo[2.2.2]octan-3-imine
CID 44328693
(E)-1-(1-azabicyclo[2.2.2]octan-3-yl)-N-[(3-methoxy-1,2-oxazol-5-yl)methoxy]methanimine
CID 44328817
3-[(1-Fluoropiperidin-4-yl)methoxy]-5-methyl-1,2-oxazole
CID 178018903
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole;hydrochloride
CID 10176993
3-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-1,2-oxazole
CID 10176994

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole (CID 19038103) is 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole is Cc1cc(OC2CN3CCC2CC3)no1.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole?
The InChIKey is IUDJBBRDSSYYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-6-11(12-15-8)14-10-7-13-4-2-9(10)3-5-13/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole?
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole has a molecular weight of 208.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yloxy)-5-methyl-1,2-oxazole is sourced from PubChem (CID 19038103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).