2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C7H3F3N2O — CID 82337585

IUPAC2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nc2cccnc2o1
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H
InChIKeyQTWBYZKGGWPUME-UHFFFAOYSA-N
MW188.11 g/mol
LogP2.24
Rot. Bonds

About 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337585) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337585
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESFC(F)(F)c1nc2cccnc2o1
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H
InChIKeyQTWBYZKGGWPUME-UHFFFAOYSA-N
XLogP2.24
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 82337585) is 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is FC(F)(F)c1nc2cccnc2o1.
What is the InChIKey of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is QTWBYZKGGWPUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)6-12-4-2-1-3-11-5(4)13-6/h1-3H.
What are the key properties of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 188.11 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).