3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine

C18H12FN3O2 — CID 129316308

IUPAC3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccccc1-c1noc2nc(OCc3ccccn3)ccc12
InChIInChI=1S/C18H12FN3O2/c19-15-7-2-1-6-13(15)17-14-8-9-16(21-18(14)24-22-17)23-11-12-5-3-4-10-20-12/h1-10H,11H2
InChIKeyLLQVALRFJZZDGW-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.00
Rot. Bonds4

About 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine

3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 129316308) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID129316308
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine
SMILESFc1ccccc1-c1noc2nc(OCc3ccccn3)ccc12
InChIInChI=1S/C18H12FN3O2/c19-15-7-2-1-6-13(15)17-14-8-9-16(21-18(14)24-22-17)23-11-12-5-3-4-10-20-12/h1-10H,11H2
InChIKeyLLQVALRFJZZDGW-UHFFFAOYSA-N
XLogP4.00
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine (CID 129316308) is 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine is Fc1ccccc1-c1noc2nc(OCc3ccccn3)ccc12.
What is the InChIKey of 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is LLQVALRFJZZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c19-15-7-2-1-6-13(15)17-14-8-9-16(21-18(14)24-22-17)23-11-12-5-3-4-10-20-12/h1-10H,11H2.
What are the key properties of 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine?
3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 321.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-6-(pyridin-2-ylmethoxy)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 129316308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).