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

C12H6F2N2O — CID 117001013

IUPAC5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1ccc(-c2ccc3ocnc3n2)cc1F
InChIInChI=1S/C12H6F2N2O/c13-8-2-1-7(5-9(8)14)10-3-4-11-12(16-10)15-6-17-11/h1-6H
InChIKeyJEIPUIZMAVFYKA-UHFFFAOYSA-N
MW232.19 g/mol
LogP3.17
Rot. Bonds1

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

5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 117001013) has the molecular formula C12H6F2N2O and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID117001013
Molecular FormulaC12H6F2N2O
Molecular Weight232.19 g/mol
Exact Mass232.04
IUPAC Name5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1ccc(-c2ccc3ocnc3n2)cc1F
InChIInChI=1S/C12H6F2N2O/c13-8-2-1-7(5-9(8)14)10-3-4-11-12(16-10)15-6-17-11/h1-6H
InChIKeyJEIPUIZMAVFYKA-UHFFFAOYSA-N
XLogP3.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 117001008
2-bromo-4-(3,4-difluorophenyl)pyrimidine
CID 116904257
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902253
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
4-(3,4-difluorophenyl)-1,3-oxazole-5-carboxylic acid
CID 82287519
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
4-(3,4-difluorophenyl)-6-ethylpyrimidine
CID 57247663
2-(3,4-difluorophenyl)-5-ethenylpyridine
CID 175646933
6-(3,4-difluorophenyl)pyridine-3-carbonitrile
CID 82113723
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]acetonitrile
CID 116900984
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965891

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 117001013) is 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is Fc1ccc(-c2ccc3ocnc3n2)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is JEIPUIZMAVFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O/c13-8-2-1-7(5-9(8)14)10-3-4-11-12(16-10)15-6-17-11/h1-6H.
What are the key properties of 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 232.19 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 117001013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).