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

C13H8F3N3O2S — CID 66880302

IUPAC2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C13H8F3N3O2S/c1-22(20)10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)21-11/h2-6H,1H3
InChIKeyKUQHUQOLHVLRNE-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.04
Rot. Bonds2

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

2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66880302) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66880302
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC Name2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C13H8F3N3O2S/c1-22(20)10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)21-11/h2-6H,1H3
InChIKeyKUQHUQOLHVLRNE-UHFFFAOYSA-N
XLogP3.04
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66880302) is 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is KUQHUQOLHVLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c1-22(20)10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)21-11/h2-6H,1H3.
What are the key properties of 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 327.29 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66880302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).