ethyl 2-formyl-1,3-oxazole-4-carboxylate

C7H7NO4 — CID 10583255

IUPACethyl 2-formyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C=O)n1
InChIInChI=1S/C7H7NO4/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKeyGCCVOQPMHVWBLV-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.66
Rot. Bonds3

About ethyl 2-formyl-1,3-oxazole-4-carboxylate

ethyl 2-formyl-1,3-oxazole-4-carboxylate (PubChem CID 10583255) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is ethyl 2-formyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-1,3-oxazole-4-carboxylate
PubChem CID10583255
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Nameethyl 2-formyl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C=O)n1
InChIInChI=1S/C7H7NO4/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3
InChIKeyGCCVOQPMHVWBLV-UHFFFAOYSA-N
XLogP0.66
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-formyl-1,3-oxazole-4-carboxylate 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

2-Methyloxazole-4-carboxylic acid
CID 539404
Ethyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10402496
Ethyl oxazole-4-carboxylate
CID 2763217
2-Methyl-1,3-oxazole-4-carbaldehyde
CID 11073372
Ethyl 2-chlorooxazole-4-carboxylate
CID 2763184
Methyl 2-(chloromethyl)oxazole-4-carboxylate
CID 2763199
Methyl 2-methyl-1,3-oxazole-4-carboxylate
CID 10855551
2-Ethyl-1,3-oxazole-4-carboxylic acid
CID 21284955
Methyl oxazole-4-carboxylate
CID 22647202
Ethyl 2-ethynyl-1,3-oxazole-4-carboxylate
CID 11194529
Ethyl 2-(2-bromoethyl)-1,3-oxazole-4-carboxylate
CID 10857806
Methyl 2-bromomethyl-4-oxazolecarboxylate
CID 10955062

Frequently Asked Questions

What is the IUPAC name of ethyl 2-formyl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-formyl-1,3-oxazole-4-carboxylate (CID 10583255) is ethyl 2-formyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-formyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-formyl-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(C=O)n1.
What is the InChIKey of ethyl 2-formyl-1,3-oxazole-4-carboxylate?
The InChIKey is GCCVOQPMHVWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4/c1-2-11-7(10)5-4-12-6(3-9)8-5/h3-4H,2H2,1H3.
What are the key properties of ethyl 2-formyl-1,3-oxazole-4-carboxylate?
ethyl 2-formyl-1,3-oxazole-4-carboxylate has a molecular weight of 169.14 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 10583255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).