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

C8H8N2OS — CID 53485887

IUPAC5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2ccc(C)nc2o1
InChIInChI=1S/C8H8N2OS/c1-5-3-4-6-7(9-5)11-8(10-6)12-2/h3-4H,1-2H3
InChIKeyWGHAGNLSJPJJSD-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.25
Rot. Bonds1

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

5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 53485887) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID53485887
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2ccc(C)nc2o1
InChIInChI=1S/C8H8N2OS/c1-5-3-4-6-7(9-5)11-8(10-6)12-2/h3-4H,1-2H3
InChIKeyWGHAGNLSJPJJSD-UHFFFAOYSA-N
XLogP2.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (CID 53485887) is 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is CSc1nc2ccc(C)nc2o1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is WGHAGNLSJPJJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-4-6-7(9-5)11-8(10-6)12-2/h3-4H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 180.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 53485887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).