6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine

C7H4F2N2O — CID 170627466

IUPAC6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)c1cc2ocnc2cn1
InChIInChI=1S/C7H4F2N2O/c8-7(9)4-1-6-5(2-10-4)11-3-12-6/h1-3,7H
InChIKeyPSKREAVSJBKBOD-UHFFFAOYSA-N
MW170.12 g/mol
LogP2.16
Rot. Bonds1

About 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine

6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 170627466) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID170627466
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine
SMILESFC(F)c1cc2ocnc2cn1
InChIInChI=1S/C7H4F2N2O/c8-7(9)4-1-6-5(2-10-4)11-3-12-6/h1-3,7H
InChIKeyPSKREAVSJBKBOD-UHFFFAOYSA-N
XLogP2.16
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine (CID 170627466) is 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine is FC(F)c1cc2ocnc2cn1.
What is the InChIKey of 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is PSKREAVSJBKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-7(9)4-1-6-5(2-10-4)11-3-12-6/h1-3,7H.
What are the key properties of 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine?
6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 170.12 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 170627466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).