2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

C16H11F3N4OS — CID 122604622

IUPAC2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3o2)nc2ccccn12
InChIInChI=1S/C16H11F3N4OS/c1-2-25-15-12(22-11-5-3-4-6-23(11)15)14-21-10-7-9(16(17,18)19)8-20-13(10)24-14/h3-8H,2H2,1H3
InChIKeyYGGQGTBAYFQLLK-UHFFFAOYSA-N
MW364.35 g/mol
LogP4.67
Rot. Bonds3

About 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine

2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 122604622) has the molecular formula C16H11F3N4OS and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID122604622
Molecular FormulaC16H11F3N4OS
Molecular Weight364.35 g/mol
Exact Mass364.06
IUPAC Name2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)cnc3o2)nc2ccccn12
InChIInChI=1S/C16H11F3N4OS/c1-2-25-15-12(22-11-5-3-4-6-23(11)15)14-21-10-7-9(16(17,18)19)8-20-13(10)24-14/h3-8H,2H2,1H3
InChIKeyYGGQGTBAYFQLLK-UHFFFAOYSA-N
XLogP4.67
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 122604622) is 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)cnc3o2)nc2ccccn12.
What is the InChIKey of 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is YGGQGTBAYFQLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4OS/c1-2-25-15-12(22-11-5-3-4-6-23(11)15)14-21-10-7-9(16(17,18)19)8-20-13(10)24-14/h3-8H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 364.35 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 122604622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).