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

C8H6N2O2 — CID 82415352

IUPAC2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde
SMILESCc1nc2ncc(C=O)cc2o1
InChIInChI=1S/C8H6N2O2/c1-5-10-8-7(12-5)2-6(4-11)3-9-8/h2-4H,1H3
InChIKeyRIKMFASHQIJCHO-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.34
Rot. Bonds1

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

2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde (PubChem CID 82415352) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde
PubChem CID82415352
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde
SMILESCc1nc2ncc(C=O)cc2o1
InChIInChI=1S/C8H6N2O2/c1-5-10-8-7(12-5)2-6(4-11)3-9-8/h2-4H,1H3
InChIKeyRIKMFASHQIJCHO-UHFFFAOYSA-N
XLogP1.34
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde?
The IUPAC name of 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde (CID 82415352) is 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde.
What is the SMILES notation for 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde?
The canonical SMILES for 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde is Cc1nc2ncc(C=O)cc2o1.
What is the InChIKey of 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde?
The InChIKey is RIKMFASHQIJCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c1-5-10-8-7(12-5)2-6(4-11)3-9-8/h2-4H,1H3.
What are the key properties of 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde?
2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde has a molecular weight of 162.15 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]oxazolo[4,5-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 82415352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).