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

C7H6N2OS — CID 10419535

IUPAC2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2cccnc2o1
InChIInChI=1S/C7H6N2OS/c1-11-7-9-5-3-2-4-8-6(5)10-7/h2-4H,1H3
InChIKeyDKBGQXNLKVPGPF-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.94
Rot. Bonds1

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

2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 10419535) has the molecular formula C7H6N2OS and a molecular weight of 166.20 g/mol. Its IUPAC name is 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID10419535
Molecular FormulaC7H6N2OS
Molecular Weight166.20 g/mol
Exact Mass166.02
IUPAC Name2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCSc1nc2cccnc2o1
InChIInChI=1S/C7H6N2OS/c1-11-7-9-5-3-2-4-8-6(5)10-7/h2-4H,1H3
InChIKeyDKBGQXNLKVPGPF-UHFFFAOYSA-N
XLogP1.94
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine (CID 10419535) is 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is CSc1nc2cccnc2o1.
What is the InChIKey of 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is DKBGQXNLKVPGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c1-11-7-9-5-3-2-4-8-6(5)10-7/h2-4H,1H3.
What are the key properties of 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine?
2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 166.20 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 10419535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).