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

C9H8N2O3 — CID 82403009

IUPAC3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncccc2o1
InChIInChI=1S/C9H8N2O3/c12-8(13)4-3-7-11-9-6(14-7)2-1-5-10-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyFXSWYPPFKZOVAD-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.24
Rot. Bonds3

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

3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (PubChem CID 82403009) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
PubChem CID82403009
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncccc2o1
InChIInChI=1S/C9H8N2O3/c12-8(13)4-3-7-11-9-6(14-7)2-1-5-10-9/h1-2,5H,3-4H2,(H,12,13)
InChIKeyFXSWYPPFKZOVAD-UHFFFAOYSA-N
XLogP1.24
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid (CID 82403009) is 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is O=C(O)CCc1nc2ncccc2o1.
What is the InChIKey of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
The InChIKey is FXSWYPPFKZOVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-8(13)4-3-7-11-9-6(14-7)2-1-5-10-9/h1-2,5H,3-4H2,(H,12,13).
What are the key properties of 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid?
3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid has a molecular weight of 192.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,3]oxazolo[4,5-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 82403009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).