5-Methyl-1,2-oxazole-3-carbaldehyde

C5H5NO2CAS 62254-74-4111.10 g/mol

Open in Covalent MOL file
NOO
Aldehyde

Properties

Molecular formula
C5H5NO2
Molar mass
111.10 g/mol
Exact mass
111.0320 Da
logP
0.80Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, P264, P270, P280, P301+P317, P330, P370+P378, P501

Identifiers

CAS number
62254-74-4
SMILES
CC1=CC(=NO1)C=O
InChIKey
OCOCVXUEFWNRJU-UHFFFAOYSA-N
InChI
InChI=1S/C5H5NO2/c1-4-2-5(3-7)6-8-4/h2-3H,1H3

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Names and synonyms

1 names
  • 5-Methylisoxazole-3-carboxaldehyde

Work with 5-Methyl-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

3,5-Dimethylisoxazole300-87-848 % similar 3-Methyl-5-isoxazolecarboxylic acid3405-77-444 % similar 3-Hydroxy-5-methylisoxazole10004-44-143 % similar 5-Methylisoxazole-3-carbonyl chloride39499-34-840 % similar (5-Methyl-1,2-oxazol-3-yl)methanol35166-33-739 % similar 3-(Chloromethyl)-5-methyl-1,2-oxazole35166-37-139 % similar 1,2-Oxazole-3-carbaldehyde89180-61-039 % similar 4-Methylpyridine-2-carbaldehyde53547-60-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxypyridine N-oxide13161-30-3 2,3-Dihydroxypyridine16867-04-2 2-(Acetyloxy)-2-propenenitrile3061-65-2 5-Hydroxy-2(1H)-pyridinone5154-01-8 2-Furancarboxamide609-38-1 4-Hydroxy-2(1H)-pyridinone626-03-9 2,6-Dihydroxypyridine626-06-2 Pyrrole-2-carboxylic acid634-97-9

Elsewhere

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