5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole

C13H19N3O — CID 10036974

IUPAC5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole
SMILESc1cc(N2CCC3(CC4CCN3CC4)C2)on1
InChIInChI=1S/C13H19N3O/c1-5-14-17-12(1)15-8-4-13(10-15)9-11-2-6-16(13)7-3-11/h1,5,11H,2-4,6-10H2
InChIKeyAKEZUDYLAJKBKL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.74
Rot. Bonds1

About 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole

5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole (PubChem CID 10036974) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole.

Molecular Properties

Compound Name5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole
PubChem CID10036974
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole
SMILESc1cc(N2CCC3(CC4CCN3CC4)C2)on1
InChIInChI=1S/C13H19N3O/c1-5-14-17-12(1)15-8-4-13(10-15)9-11-2-6-16(13)7-3-11/h1,5,11H,2-4,6-10H2
InChIKeyAKEZUDYLAJKBKL-UHFFFAOYSA-N
XLogP1.74
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,7-Diazaspiro[4.4]nonane, 1-(5-isoxazolyl)-7-methyl-
CID 10013253
Spiro[1-azabicyclo[2.2.1]heptane-2,3'-pyrrolidine], 1'-(5-isoxazolyl)-
CID 10013703
1,7-Diazaspiro[4.4]nonane, 7-(5-isoxazolyl)-1-methyl-
CID 10104475
Spiro[1-azabicyclo[2.2.1]heptane-7,3'-pyrrolidine], 1'-(5-isoxazolyl)-
CID 10376142
5-Spiro[1-azoniabicyclo[2.2.1]heptane-7,3'-pyrrolidine]-1-yl-1,2-oxazole
CID 69340977
5-Spiro[1-azoniabicyclo[2.2.1]heptane-2,3'-pyrrolidine]-1-yl-1,2-oxazole
CID 69341034

Frequently Asked Questions

What is the IUPAC name of 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The IUPAC name of 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole (CID 10036974) is 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole.
What is the SMILES notation for 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The canonical SMILES for 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole is c1cc(N2CCC3(CC4CCN3CC4)C2)on1.
What is the InChIKey of 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole?
The InChIKey is AKEZUDYLAJKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-14-17-12(1)15-8-4-13(10-15)9-11-2-6-16(13)7-3-11/h1,5,11H,2-4,6-10H2.
What are the key properties of 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole?
5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole has a molecular weight of 233.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[1-azabicyclo[2.2.2]octane-2,3'-pyrrolidine]-1'-yl-1,2-oxazole is sourced from PubChem (CID 10036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).