(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane

C10H12N2O — CID 175860309

IUPAC(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cncc(N2C[C@H]3C[C@@H]2CO3)c1
InChIInChI=1S/C10H12N2O/c1-2-8(5-11-3-1)12-6-10-4-9(12)7-13-10/h1-3,5,9-10H,4,6-7H2/t9-,10-/m1/s1
InChIKeyUYQAFECIOJBZNY-NXEZZACHSA-N
MW176.22 g/mol
LogP1.06
Rot. Bonds1

About (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane

(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 175860309) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID175860309
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESc1cncc(N2C[C@H]3C[C@@H]2CO3)c1
InChIInChI=1S/C10H12N2O/c1-2-8(5-11-3-1)12-6-10-4-9(12)7-13-10/h1-3,5,9-10H,4,6-7H2/t9-,10-/m1/s1
InChIKeyUYQAFECIOJBZNY-NXEZZACHSA-N
XLogP1.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4R)-2-pyridin-3-yl-2,5-diazabicyclo[2.2.1]heptane
CID 16748111
(1R)-5-(6-nitro-3-pyridinyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 156663105
(1S,4S)-5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 176615827
5-(4-tert-butylphenyl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 129268436
(1R,5S)-6-pyridin-3-yl-2,6-diazabicyclo[3.2.1]octane
CID 69423989
(E)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 122162081
6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
CID 130894479
4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-2-amine
CID 131187094
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
CID 175933789
5-[6-(chloromethyl)-2-pyridinyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 131186257
5-[5-(bromomethyl)pyrimidin-2-yl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 130769881
4-pyridin-3-ylmorpholin-3-amine
CID 174654735

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane (CID 175860309) is (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane is c1cncc(N2C[C@H]3C[C@@H]2CO3)c1.
What is the InChIKey of (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is UYQAFECIOJBZNY-NXEZZACHSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-8(5-11-3-1)12-6-10-4-9(12)7-13-10/h1-3,5,9-10H,4,6-7H2/t9-,10-/m1/s1.
What are the key properties of (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane?
(1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 176.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-5-pyridin-3-yl-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 175860309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).