2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

C13H7FN2O3 — CID 114218202

IUPAC2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C13H7FN2O3/c14-8-3-1-2-7(6-8)12-16-11-10(19-12)5-4-9(15-11)13(17)18/h1-6H,(H,17,18)
InChIKeyNABTYYKFOAILGG-UHFFFAOYSA-N
MW258.21 g/mol
LogP2.73
Rot. Bonds2

About 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218202) has the molecular formula C13H7FN2O3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218202
Molecular FormulaC13H7FN2O3
Molecular Weight258.21 g/mol
Exact Mass258.04
IUPAC Name2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(-c3cccc(F)c3)nc2n1
InChIInChI=1S/C13H7FN2O3/c14-8-3-1-2-7(6-8)12-16-11-10(19-12)5-4-9(15-11)13(17)18/h1-6H,(H,17,18)
InChIKeyNABTYYKFOAILGG-UHFFFAOYSA-N
XLogP2.73
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218202) is 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(-c3cccc(F)c3)nc2n1.
What is the InChIKey of 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is NABTYYKFOAILGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O3/c14-8-3-1-2-7(6-8)12-16-11-10(19-12)5-4-9(15-11)13(17)18/h1-6H,(H,17,18).
What are the key properties of 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 258.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).