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

C14H9FN4O — CID 71455716

IUPAC5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1cnc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C14H9FN4O/c1-19-7-16-10-6-8(2-4-11(10)19)13-17-9-3-5-12(15)18-14(9)20-13/h2-7H,1H3
InChIKeyGPULSPBSBFOGAR-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.92
Rot. Bonds1

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

5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 71455716) has the molecular formula C14H9FN4O and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID71455716
Molecular FormulaC14H9FN4O
Molecular Weight268.25 g/mol
Exact Mass268.08
IUPAC Name5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCn1cnc2cc(-c3nc4ccc(F)nc4o3)ccc21
InChIInChI=1S/C14H9FN4O/c1-19-7-16-10-6-8(2-4-11(10)19)13-17-9-3-5-12(15)18-14(9)20-13/h2-7H,1H3
InChIKeyGPULSPBSBFOGAR-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine (CID 71455716) is 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is Cn1cnc2cc(-c3nc4ccc(F)nc4o3)ccc21.
What is the InChIKey of 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is GPULSPBSBFOGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O/c1-19-7-16-10-6-8(2-4-11(10)19)13-17-9-3-5-12(15)18-14(9)20-13/h2-7H,1H3.
What are the key properties of 5-fluoro-2-(1-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine?
5-fluoro-2-(1-methylbenzimidazol-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-methylbenzimidazol-5-yl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 71455716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).