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

C10H10N2O4 — CID 82060173

IUPAC2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)oc2cccnc21
InChIInChI=1S/C10H10N2O4/c1-2-6(9(13)14)12-8-7(16-10(12)15)4-3-5-11-8/h3-6H,2H2,1H3,(H,13,14)
InChIKeyYIGVXJHSVREPFS-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.03
Rot. Bonds3

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

2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid (PubChem CID 82060173) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
PubChem CID82060173
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid
SMILESCCC(C(=O)O)n1c(=O)oc2cccnc21
InChIInChI=1S/C10H10N2O4/c1-2-6(9(13)14)12-8-7(16-10(12)15)4-3-5-11-8/h3-6H,2H2,1H3,(H,13,14)
InChIKeyYIGVXJHSVREPFS-UHFFFAOYSA-N
XLogP1.03
TPSA85.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid?
The IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid (CID 82060173) is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid?
The canonical SMILES for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid is CCC(C(=O)O)n1c(=O)oc2cccnc21.
What is the InChIKey of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid?
The InChIKey is YIGVXJHSVREPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-2-6(9(13)14)12-8-7(16-10(12)15)4-3-5-11-8/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid?
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid has a molecular weight of 222.20 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 82060173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).