5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine

C13H9FN2O2 — CID 71459373

IUPAC5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3ccc(F)nc3o2)cc1
InChIInChI=1S/C13H9FN2O2/c1-17-9-4-2-8(3-5-9)12-15-10-6-7-11(14)16-13(10)18-12/h2-7H,1H3
InChIKeySETSXKGVAMQUJO-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.04
Rot. Bonds2

About 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71459373) has the molecular formula C13H9FN2O2 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71459373
Molecular FormulaC13H9FN2O2
Molecular Weight244.23 g/mol
Exact Mass244.06
IUPAC Name5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCOc1ccc(-c2nc3ccc(F)nc3o2)cc1
InChIInChI=1S/C13H9FN2O2/c1-17-9-4-2-8(3-5-9)12-15-10-6-7-11(14)16-13(10)18-12/h2-7H,1H3
InChIKeySETSXKGVAMQUJO-UHFFFAOYSA-N
XLogP3.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine (CID 71459373) is 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine is COc1ccc(-c2nc3ccc(F)nc3o2)cc1.
What is the InChIKey of 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SETSXKGVAMQUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-17-9-4-2-8(3-5-9)12-15-10-6-7-11(14)16-13(10)18-12/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 244.23 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methoxyphenyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71459373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).