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

C14H10F3N3O2S — CID 66921407

IUPAC2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O2S/c1-2-23(21)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)22-12/h3-7H,2H2,1H3
InChIKeyMGYAJRWJTYLRTB-UHFFFAOYSA-N
MW341.31 g/mol
LogP3.43
Rot. Bonds3

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

2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66921407) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66921407
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC Name2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C14H10F3N3O2S/c1-2-23(21)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)22-12/h3-7H,2H2,1H3
InChIKeyMGYAJRWJTYLRTB-UHFFFAOYSA-N
XLogP3.43
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66921407) is 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is MGYAJRWJTYLRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c1-2-23(21)11-7-18-4-3-9(11)12-20-10-5-8(14(15,16)17)6-19-13(10)22-12/h3-7H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 341.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66921407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).