(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

C15H19N3O — CID 58081871

IUPAC(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc(CC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
InChIInChI=1S/C15H19N3O/c1-2-6-16-13(3-1)9-14-17-10-15(19-14)11-18-7-4-12(15)5-8-18/h1-3,6,12H,4-5,7-11H2/t15-/m0/s1
InChIKeySXCSNKOLTLBCHH-HNNXBMFYSA-N
MW257.34 g/mol
LogP1.52
Rot. Bonds2

About (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 58081871) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID58081871
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc(CC2=NC[C@@]3(CN4CCC3CC4)O2)nc1
InChIInChI=1S/C15H19N3O/c1-2-6-16-13(3-1)9-14-17-10-15(19-14)11-18-7-4-12(15)5-8-18/h1-3,6,12H,4-5,7-11H2/t15-/m0/s1
InChIKeySXCSNKOLTLBCHH-HNNXBMFYSA-N
XLogP1.52
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] with MolForge

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Related Compounds

3-(4-pyridin-2-ylfuran-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 69052268
(3S)-2'-[(1S)-1-(3,5-difluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
CID 166511146
(3S)-spiro[1-azabicyclo[2.2.2]octane-3,2'-1H-[1,3]oxazolo[3,2-a]benzimidazole]
CID 121320376
(5R)-3-(5-pyrimidin-2-ylthiophen-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
CID 11348449
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286675
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
N-benzyl-N-(111C)methylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 11279070
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
1-(3-amino-2,2-dimethylpyrrolidin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 115275314
1-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 72919697
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
N-(6,8-dimethylisoquinolin-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 76663400

Frequently Asked Questions

What is the IUPAC name of (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 58081871) is (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is c1ccc(CC2=NC[C@@]3(CN4CCC3CC4)O2)nc1.
What is the InChIKey of (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is SXCSNKOLTLBCHH-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-6-16-13(3-1)9-14-17-10-15(19-14)11-18-7-4-12(15)5-8-18/h1-3,6,12H,4-5,7-11H2/t15-/m0/s1.
What are the key properties of (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
(3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 257.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2'-(pyridin-2-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 58081871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).