5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine

C14H8FN3O — CID 44555290

IUPAC5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4cc[nH]c4c3)oc2n1
InChIInChI=1S/C14H8FN3O/c15-12-4-3-10-14(18-12)19-13(17-10)9-2-1-8-5-6-16-11(8)7-9/h1-7,16H
InChIKeyALXDDSYJFBZAFX-UHFFFAOYSA-N
MW253.24 g/mol
LogP3.51
Rot. Bonds1

About 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine

5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 44555290) has the molecular formula C14H8FN3O and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID44555290
Molecular FormulaC14H8FN3O
Molecular Weight253.24 g/mol
Exact Mass253.07
IUPAC Name5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc2nc(-c3ccc4cc[nH]c4c3)oc2n1
InChIInChI=1S/C14H8FN3O/c15-12-4-3-10-14(18-12)19-13(17-10)9-2-1-8-5-6-16-11(8)7-9/h1-7,16H
InChIKeyALXDDSYJFBZAFX-UHFFFAOYSA-N
XLogP3.51
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 44555290) is 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc2nc(-c3ccc4cc[nH]c4c3)oc2n1.
What is the InChIKey of 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ALXDDSYJFBZAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FN3O/c15-12-4-3-10-14(18-12)19-13(17-10)9-2-1-8-5-6-16-11(8)7-9/h1-7,16H.
What are the key properties of 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 253.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1H-indol-6-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 44555290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).