5-ethoxy-1,3-oxazole-4-carbaldehyde

C6H7NO3 — CID 88707146

IUPAC5-ethoxy-1,3-oxazole-4-carbaldehyde
SMILESCCOc1ocnc1C=O
InChIInChI=1S/C6H7NO3/c1-2-9-6-5(3-8)7-4-10-6/h3-4H,2H2,1H3
InChIKeyUAPBKVJNLJGZTM-UHFFFAOYSA-N
MW141.13 g/mol
LogP0.89
Rot. Bonds3

About 5-ethoxy-1,3-oxazole-4-carbaldehyde

5-ethoxy-1,3-oxazole-4-carbaldehyde (PubChem CID 88707146) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 5-ethoxy-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-ethoxy-1,3-oxazole-4-carbaldehyde
PubChem CID88707146
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name5-ethoxy-1,3-oxazole-4-carbaldehyde
SMILESCCOc1ocnc1C=O
InChIInChI=1S/C6H7NO3/c1-2-9-6-5(3-8)7-4-10-6/h3-4H,2H2,1H3
InChIKeyUAPBKVJNLJGZTM-UHFFFAOYSA-N
XLogP0.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-ethoxy-1,3-oxazole-4-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

(5-ethoxy-1,3-oxazol-4-yl)methanol
CID 71653314
5-pyridin-4-yl-1,3-oxazole-4-carbaldehyde
CID 82411528
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
4-ethoxy-3,5-dimethylbenzaldehyde
CID 18182978
5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde
CID 11075933
2-ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
1,4-diethoxynaphthalene-2,3-dicarbaldehyde
CID 88868655
5-[(4-ethoxyphenoxy)methyl]-1-ethyltriazole-4-carbaldehyde
CID 82207379
5-ethoxy-N,N-diphenyl-1,3-oxazole-4-carbothioamide
CID 134870982
3-ethoxyquinoline-2-carbaldehyde
CID 177169665
6-ethoxy-3-nitropyridine-2-carbaldehyde
CID 86659062
2-ethoxy-3-methylfuran
CID 154096110

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-ethoxy-1,3-oxazole-4-carbaldehyde (CID 88707146) is 5-ethoxy-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-ethoxy-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-ethoxy-1,3-oxazole-4-carbaldehyde is CCOc1ocnc1C=O.
What is the InChIKey of 5-ethoxy-1,3-oxazole-4-carbaldehyde?
The InChIKey is UAPBKVJNLJGZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-2-9-6-5(3-8)7-4-10-6/h3-4H,2H2,1H3.
What are the key properties of 5-ethoxy-1,3-oxazole-4-carbaldehyde?
5-ethoxy-1,3-oxazole-4-carbaldehyde has a molecular weight of 141.13 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 88707146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).