6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine

C7H5FN2OS — CID 155701530

IUPAC6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2cc(F)cnc2o1
InChIInChI=1S/C7H5FN2OS/c1-12-7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3
InChIKeyPPXLMILGUGNFIW-UHFFFAOYSA-N
MW184.19 g/mol
LogP2.08
Rot. Bonds1

About 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine

6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 155701530) has the molecular formula C7H5FN2OS and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID155701530
Molecular FormulaC7H5FN2OS
Molecular Weight184.19 g/mol
Exact Mass184.01
IUPAC Name6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2cc(F)cnc2o1
InChIInChI=1S/C7H5FN2OS/c1-12-7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3
InChIKeyPPXLMILGUGNFIW-UHFFFAOYSA-N
XLogP2.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (CID 155701530) is 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is CSc1nc2cc(F)cnc2o1.
What is the InChIKey of 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is PPXLMILGUGNFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2OS/c1-12-7-10-5-2-4(8)3-9-6(5)11-7/h2-3H,1H3.
What are the key properties of 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 184.19 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 155701530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).