2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine

C12H3F5N2O — CID 91678562

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-c2nc3ncccc3o2)c(F)c1F
InChIInChI=1S/C12H3F5N2O/c13-6-5(7(14)9(16)10(17)8(6)15)12-19-11-4(20-12)2-1-3-18-11/h1-3H
InChIKeyYQDVEJBGYGDMSK-UHFFFAOYSA-N
MW286.16 g/mol
LogP3.59
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine

2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 91678562) has the molecular formula C12H3F5N2O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID91678562
Molecular FormulaC12H3F5N2O
Molecular Weight286.16 g/mol
Exact Mass286.02
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1c(F)c(F)c(-c2nc3ncccc3o2)c(F)c1F
InChIInChI=1S/C12H3F5N2O/c13-6-5(7(14)9(16)10(17)8(6)15)12-19-11-4(20-12)2-1-3-18-11/h1-3H
InChIKeyYQDVEJBGYGDMSK-UHFFFAOYSA-N
XLogP3.59
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 91678562) is 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is Fc1c(F)c(F)c(-c2nc3ncccc3o2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is YQDVEJBGYGDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3F5N2O/c13-6-5(7(14)9(16)10(17)8(6)15)12-19-11-4(20-12)2-1-3-18-11/h1-3H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 286.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 91678562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).