Oxazole-4-carbaldehyde

C₄H₃NO₂CAS 118994-84-697.07 g/mol

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Properties

Molecular formula: C₄H₃NO₂
Molar mass: 97.07 g/mol
Exact mass: 97.0164 Da
logP: 0.49Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

118994-84-6

SMILES

C1=C(N=CO1)C=O

InChIKey

JBWIIXBEPINWPB-UHFFFAOYSA-N

InChI

InChI=1S/C4H3NO2/c6-1-4-2-7-3-5-4/h1-3H

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Names and synonyms

1 names

4-Oxazolecarboxaldehyde

Work with Oxazole-4-carbaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pyridine-2-carbaldehyde1121-60-438 % similar 2,6-Diformylpyridine5431-44-737 % similar 4-Methyloxazole693-93-637 % similar 2,5-Thiophenedicarboxaldehyde932-95-635 % similar 3-Furancarboxaldehyde498-60-234 % similar 4-Oxazolecarboxylic acid23012-13-734 % similar 4-Bromopyridine-2-carbaldehyde131747-63-233 % similar 4-Oxazolecarbonitrile55242-84-733 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Maleimide541-59-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook