chempirical

Oxazolone

C12H11NO3CAS 15646-46-5217.22 g/mol

Open in Covalent MOL file
ONOO
AlkeneEsterEtherLactone

Properties

Molecular formula
C12H11NO3
Molar mass
217.22 g/mol
Exact mass
217.0739 Da
Melting point
94–96 °C
logP
1.87Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
15646-46-5
SMILES
CCOC=C1N=C(c2ccccc2)OC1=O
InChIKey
SJHPCNCNNSSLPL-UHFFFAOYSA-N
InChI
InChI=1S/C12H11NO3/c1-2-15-8-10-12(14)16-11(13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3

Weigh it out

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

Names and synonyms

12 names
  • 5(4H)-Oxazolone, 4-(ethoxymethylene)-2-phenyl-
  • 2-Oxazolin-5-one, 4-(ethoxymethylene)-2-phenyl-
  • 4-(Ethoxymethylene)-2-phenyl-5(4H)-oxazolone
  • 2-Phenyl-1-4-heteromethylene-5-oxazolone
  • 2-Phenyl-4-ethoxymethylene-5-oxazolone
  • 2-Phenyl-4-(ethoxymethylene)oxazolone
  • Oxazolone (sensitizing agent)
  • 2-Phenyl-4-(ethoxymethylene)-2-oxazolinone
  • 4-Ethoxymethylene-2-phenyl oxazolone
  • 4-Ethoxymethylene-2-phenyl-5-oxazolone
  • Oxazolone (allergen)
  • 4-Ethoxymethylene-2-phenyl-2-oxazolin-5-one

Work with Oxazolone

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

N-(Diphenylmethylene)glycine ethyl ester69555-14-240 % similar Ethyl benzoate93-89-040 % similar Diethyl benzylidenemalonate5292-53-538 % similar Ethyl 2-cyano-3,3-diphenylacrylate5232-99-538 % similar Diethyl (ethoxymethylene)malonate87-13-837 % similar 2,2-Diethoxyacetophenone6175-45-737 % similar Ethyl (2E)-4-oxo-4-phenyl-2-butenoate15121-89-837 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-335 % similar

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

Same formula

2-Phenyl-5-methyloxazole-4-acetic acid107367-98-6 Methyl N-(7-hydroxy-1-naphthalenyl)carbamate132-63-8 Ethyl 3-cyano-3-phenylpyruvate6362-63-6 Ethyl 5-phenylisoxazole-3-carboxylate7063-99-2

Elsewhere

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