2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile

C9H7N3O — CID 83859301

IUPAC2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile
SMILESCC(C#N)c1nc2ncccc2o1
InChIInChI=1S/C9H7N3O/c1-6(5-10)9-12-8-7(13-9)3-2-4-11-8/h2-4,6H,1H3
InChIKeyPZXXHLCWFZDFTQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.85
Rot. Bonds1

About 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile

2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile (PubChem CID 83859301) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile.

Molecular Properties

Compound Name2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile
PubChem CID83859301
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile
SMILESCC(C#N)c1nc2ncccc2o1
InChIInChI=1S/C9H7N3O/c1-6(5-10)9-12-8-7(13-9)3-2-4-11-8/h2-4,6H,1H3
InChIKeyPZXXHLCWFZDFTQ-UHFFFAOYSA-N
XLogP1.85
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile?
The IUPAC name of 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile (CID 83859301) is 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile.
What is the SMILES notation for 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile?
The canonical SMILES for 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile is CC(C#N)c1nc2ncccc2o1.
What is the InChIKey of 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile?
The InChIKey is PZXXHLCWFZDFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-6(5-10)9-12-8-7(13-9)3-2-4-11-8/h2-4,6H,1H3.
What are the key properties of 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile?
2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile has a molecular weight of 173.17 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanenitrile is sourced from PubChem (CID 83859301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).