Oxazole-4-carbaldehyde

C₄H₃NO₂CAS 118994-84-697.07 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H302 Harmful if swallowed95.5% of notifiers
H317 May cause an allergic skin reaction93.2% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P501

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 Thiazole-4-carboxaldehyde3364-80-538 % similar Pyrazine-2-carbaldehyde5780-66-538 % similar 4-Methylpyridine-2-carbaldehyde53547-60-738 % similar 2,6-Diformylpyridine5431-44-737 % similar 4-Methyloxazole693-93-637 % similar Pyrimidine-4-carboxaldehyde2435-50-937 % similar 5-Methylpyrazine-2-carboxaldehyde50866-30-335 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Maleimide541-59-3 1,2-Oxazole-3-carbaldehyde89180-61-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook