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

C9H8N2O — CID 146284850

IUPAC6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESC=Cc1cnc2nc(C)oc2c1
InChIInChI=1S/C9H8N2O/c1-3-7-4-8-9(10-5-7)11-6(2)12-8/h3-5H,1H2,2H3
InChIKeyNMWYPLXCVMQOAD-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.17
Rot. Bonds1

About 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine

6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 146284850) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID146284850
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine
SMILESC=Cc1cnc2nc(C)oc2c1
InChIInChI=1S/C9H8N2O/c1-3-7-4-8-9(10-5-7)11-6(2)12-8/h3-5H,1H2,2H3
InChIKeyNMWYPLXCVMQOAD-UHFFFAOYSA-N
XLogP2.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine (CID 146284850) is 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine is C=Cc1cnc2nc(C)oc2c1.
What is the InChIKey of 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is NMWYPLXCVMQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-3-7-4-8-9(10-5-7)11-6(2)12-8/h3-5H,1H2,2H3.
What are the key properties of 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine?
6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 160.18 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-methyl-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 146284850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).