7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde

C9H8N2O3 — CID 84663737

IUPAC7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde
SMILESCCOc1ccnc2nc(C=O)oc12
InChIInChI=1S/C9H8N2O3/c1-2-13-6-3-4-10-9-8(6)14-7(5-12)11-9/h3-5H,2H2,1H3
InChIKeyCRBXUHOBVLTPAS-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.43
Rot. Bonds3

About 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde

7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde (PubChem CID 84663737) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde
PubChem CID84663737
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde
SMILESCCOc1ccnc2nc(C=O)oc12
InChIInChI=1S/C9H8N2O3/c1-2-13-6-3-4-10-9-8(6)14-7(5-12)11-9/h3-5H,2H2,1H3
InChIKeyCRBXUHOBVLTPAS-UHFFFAOYSA-N
XLogP1.43
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carboxylic acid
CID 84675802
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
3-chloro-4-ethoxypyridin-2-amine
CID 154642114
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894
benzo[g][1,3]benzoxazole-2-carbaldehyde
CID 121009106
2,4-diethoxypyridine-3-carboxylic acid
CID 90411373
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
2-ethoxybenzene-5-ide-1-carbaldehyde;yttrium
CID 59106148
ethane;2-ethoxy-4-methylpyridine-3-carbaldehyde
CID 143458093
3-ethoxy-6-methylphthalaldehyde
CID 171004125
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde?
The IUPAC name of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde (CID 84663737) is 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde?
The canonical SMILES for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde is CCOc1ccnc2nc(C=O)oc12.
What is the InChIKey of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde?
The InChIKey is CRBXUHOBVLTPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-2-13-6-3-4-10-9-8(6)14-7(5-12)11-9/h3-5H,2H2,1H3.
What are the key properties of 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde?
7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde has a molecular weight of 192.17 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-[1,3]oxazolo[4,5-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 84663737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).