(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C14H17N3O2 — CID 11196221

IUPAC(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccccn1
InChIInChI=1S/C14H17N3O2/c18-13-17(12-3-1-2-6-15-12)10-14(19-13)9-16-7-4-11(14)5-8-16/h1-3,6,11H,4-5,7-10H2/t14-/m1/s1
InChIKeyOCLBPMPJMWINMQ-CQSZACIVSA-N
MW259.31 g/mol
LogP1.50
Rot. Bonds1

About (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11196221) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11196221
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccccn1
InChIInChI=1S/C14H17N3O2/c18-13-17(12-3-1-2-6-15-12)10-14(19-13)9-16-7-4-11(14)5-8-16/h1-3,6,11H,4-5,7-10H2/t14-/m1/s1
InChIKeyOCLBPMPJMWINMQ-CQSZACIVSA-N
XLogP1.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11196221) is (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1O[C@]2(CN3CCC2CC3)CN1c1ccccn1.
What is the InChIKey of (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is OCLBPMPJMWINMQ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13-17(12-3-1-2-6-15-12)10-14(19-13)9-16-7-4-11(14)5-8-16/h1-3,6,11H,4-5,7-10H2/t14-/m1/s1.
What are the key properties of (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-pyridin-2-ylspiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11196221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).