2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde

C13H11N3O2 — CID 82387547

IUPAC2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCCc1cc(-c2cn3cccc(C=O)c3n2)on1
InChIInChI=1S/C13H11N3O2/c1-2-10-6-12(18-15-10)11-7-16-5-3-4-9(8-17)13(16)14-11/h3-8H,2H2,1H3
InChIKeyCOCXBDAXTCKDCG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.36
Rot. Bonds3

About 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde

2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde (PubChem CID 82387547) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
PubChem CID82387547
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde
SMILESCCc1cc(-c2cn3cccc(C=O)c3n2)on1
InChIInChI=1S/C13H11N3O2/c1-2-10-6-12(18-15-10)11-7-16-5-3-4-9(8-17)13(16)14-11/h3-8H,2H2,1H3
InChIKeyCOCXBDAXTCKDCG-UHFFFAOYSA-N
XLogP2.36
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The IUPAC name of 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde (CID 82387547) is 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The canonical SMILES for 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde is CCc1cc(-c2cn3cccc(C=O)c3n2)on1.
What is the InChIKey of 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde?
The InChIKey is COCXBDAXTCKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-2-10-6-12(18-15-10)11-7-16-5-3-4-9(8-17)13(16)14-11/h3-8H,2H2,1H3.
What are the key properties of 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde?
2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde has a molecular weight of 241.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 82387547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).