6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine

C9H9FN2O — CID 59589087

IUPAC6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1nc2cc(F)cnc2o1
InChIInChI=1S/C9H9FN2O/c1-5(2)8-12-7-3-6(10)4-11-9(7)13-8/h3-5H,1-2H3
InChIKeyYJRDBSWUGDGGFJ-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.49
Rot. Bonds1

About 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine

6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 59589087) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID59589087
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESCC(C)c1nc2cc(F)cnc2o1
InChIInChI=1S/C9H9FN2O/c1-5(2)8-12-7-3-6(10)4-11-9(7)13-8/h3-5H,1-2H3
InChIKeyYJRDBSWUGDGGFJ-UHFFFAOYSA-N
XLogP2.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-2-propan-2-yl-[1,3]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 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 59589087) is 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is CC(C)c1nc2cc(F)cnc2o1.
What is the InChIKey of 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is YJRDBSWUGDGGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5(2)8-12-7-3-6(10)4-11-9(7)13-8/h3-5H,1-2H3.
What are the key properties of 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine?
6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 180.18 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 59589087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).