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

C13H8F3N3OS — CID 66880937

IUPAC2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C13H8F3N3OS/c1-21-10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)20-11/h2-6H,1H3
InChIKeyNWOSEZATOFZZSE-UHFFFAOYSA-N
MW311.29 g/mol
LogP4.03
Rot. Bonds2

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

2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 66880937) has the molecular formula C13H8F3N3OS and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID66880937
Molecular FormulaC13H8F3N3OS
Molecular Weight311.29 g/mol
Exact Mass311.03
IUPAC Name2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1
InChIInChI=1S/C13H8F3N3OS/c1-21-10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)20-11/h2-6H,1H3
InChIKeyNWOSEZATOFZZSE-UHFFFAOYSA-N
XLogP4.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine (CID 66880937) is 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is CSc1cnccc1-c1nc2cc(C(F)(F)F)cnc2o1.
What is the InChIKey of 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is NWOSEZATOFZZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3OS/c1-21-10-6-17-3-2-8(10)11-19-9-4-7(13(14,15)16)5-18-12(9)20-11/h2-6H,1H3.
What are the key properties of 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 311.29 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanyl-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 66880937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).