4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine

C8H5F3N2O — CID 138573154

IUPAC4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)Cc1nccc2ocnc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)3-5-7-6(1-2-12-5)14-4-13-7/h1-2,4H,3H2
InChIKeyBAJULZOVCOZFRY-UHFFFAOYSA-N
MW202.14 g/mol
LogP2.33
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine

4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 138573154) has the molecular formula C8H5F3N2O and a molecular weight of 202.14 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID138573154
Molecular FormulaC8H5F3N2O
Molecular Weight202.14 g/mol
Exact Mass202.04
IUPAC Name4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)(F)Cc1nccc2ocnc12
InChIInChI=1S/C8H5F3N2O/c9-8(10,11)3-5-7-6(1-2-12-5)14-4-13-7/h1-2,4H,3H2
InChIKeyBAJULZOVCOZFRY-UHFFFAOYSA-N
XLogP2.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine (CID 138573154) is 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine is FC(F)(F)Cc1nccc2ocnc12.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is BAJULZOVCOZFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c9-8(10,11)3-5-7-6(1-2-12-5)14-4-13-7/h1-2,4H,3H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine?
4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 202.14 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 138573154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).