1,2-Oxazole-3-carbaldehyde

C4H3NO2CAS 89180-61-097.07 g/mol

Open in Covalent MOL file
ONO
Aldehyde

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
89180-61-0
SMILES
C1=CON=C1C=O
InChIKey
WNVZOHNNPDZYFN-UHFFFAOYSA-N
InChI
InChI=1S/C4H3NO2/c6-3-4-1-2-7-5-4/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Isoxazole-3-carbaldehyde

Work with 1,2-Oxazole-3-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

2,6-Diformylpyridine5431-44-742 % similar 5-Methyl-1,2-oxazole-3-carbaldehyde62254-74-439 % similar Pyridine-2-carbaldehyde1121-60-438 % similar 2,2'-Bipyridine-6,6'-dicarbaldehyde49669-26-338 % similar Pyrimidine-4-carboxaldehyde2435-50-937 % similar 6-Chloropyridine-2-carbaldehyde54087-03-535 % similar 2,5-Furandicarboxaldehyde823-82-535 % similar Thiophene-2,5-dicarbaldehyde932-95-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Oxazole-4-carbaldehyde118994-84-6 Maleimide541-59-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook