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

C14H9FN4O — CID 44555289

IUPAC5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ncc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C14H9FN4O/c1-19-11-4-2-8(6-9(11)7-16-19)13-17-10-3-5-12(15)18-14(10)20-13/h2-7H,1H3
InChIKeySSBNWYWLOAHQKX-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.92
Rot. Bonds1

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

5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44555289) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44555289
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1ncc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C14H9FN4O/c1-19-11-4-2-8(6-9(11)7-16-19)13-17-10-3-5-12(15)18-14(10)20-13/h2-7H,1H3
InChIKeySSBNWYWLOAHQKX-UHFFFAOYSA-N
XLogP2.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-Fluoro-2-(1-methylindol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44554966
[4-(5-Fluoro-oxazolo[5,4-b]pyridin-2-yl)-phenyl]-dimethyl-amine
CID 44555120
5-fluoro-2-(1H-indol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 44555125
Oxazolo(5,4-b)pyridine, 2-(2-fluorophenyl)-
CID 3040488
2-methyl-N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]propanamide
CID 881848
5-Fluoro-2-[1-(tritritiomethyl)indol-5-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 71453976
4-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methyl-N-(tritritiomethyl)aniline
CID 71457499
2-Phenyloxazolo[5,4-b]pyridine
CID 11805638
5-Fluoro-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-[1,3]oxazolo[5,4-b]pyridine
CID 71459371
2-(3-Methylphenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 12461419
2-(2,6-Difluorophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 12461424
US10766893, Example 35b
CID 138692752

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44555289) is 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Cn1ncc2cc(-c3nc4ccc(F)nc4o3)ccc21.
What is the InChIKey of 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is SSBNWYWLOAHQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-19-11-4-2-8(6-9(11)7-16-19)13-17-10-3-5-12(15)18-14(10)20-13/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 268.25 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-methylindazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44555289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).