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

C15H11F3N2OS — CID 67981599

IUPAC2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C15H11F3N2OS/c1-2-22-12-6-4-3-5-10(12)13-20-11-7-9(15(16,17)18)8-19-14(11)21-13/h3-8H,2H2,1H3
InChIKeyGQWPEDJHWBYYGK-UHFFFAOYSA-N
MW324.33 g/mol
LogP5.02
Rot. Bonds3

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

2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 67981599) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID67981599
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C15H11F3N2OS/c1-2-22-12-6-4-3-5-10(12)13-20-11-7-9(15(16,17)18)8-19-14(11)21-13/h3-8H,2H2,1H3
InChIKeyGQWPEDJHWBYYGK-UHFFFAOYSA-N
XLogP5.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.33
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 67981599) is 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCSc1ccccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is GQWPEDJHWBYYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-2-22-12-6-4-3-5-10(12)13-20-11-7-9(15(16,17)18)8-19-14(11)21-13/h3-8H,2H2,1H3.
What are the key properties of 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 324.33 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylphenyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 67981599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).