chempirical

2(3H)-Benzoxazolone

C7H5NO2CAS 59-49-4135.12 g/mol

Open in Covalent MOL file
HONO
Phenol

Properties

Molecular formula
C7H5NO2
Molar mass
135.12 g/mol
Exact mass
135.0320 Da
Melting point
138 °C
Boiling point
335 °C
logP
1.53Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
59-49-4
SMILES
Oc1nc2ccccc2o1
InChIKey
ASSKVPFEZFQQNQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

11 names
  • 2-Benzoxazolinone
  • Carbamic acid, (2-hydroxyphenyl)-, γ-lactone
  • 2-Benzoxazolol
  • 2-Hydroxybenzoxazole
  • 2(3H)-Benzoxazolinone
  • 1,3-Benzoxazol-2(3H)-one
  • NSC 3812
  • 2-Oxo-2,3-dihydrobenzoxazole
  • Benzo[d]oxazol-2(3H)-one
  • 1,2-Dihydrobenzoxazol-2-one
  • 2,3-Dihydro-1,3-benzoxazol-2-one

Work with 2(3H)-Benzoxazolone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-benzoxazolinone14733-73-453 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-453 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-553 % similar Chlorzoxazone95-25-053 % similar 2-Mercaptobenzoxazole2382-96-952 % similar 2-Chlorobenzoxazole615-18-952 % similar 2-Methylbenzoxazole95-21-652 % similar Oxazolo[4,5-B]pyridin-2(3H)-one60832-72-652 % similar

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

Same formula

3,4-Dihydroxybenzonitrile17345-61-8 3,5-Dihydroxybenzonitrile19179-36-3 1,2-Benzisoxazol-3(2H)-one21725-69-9 2,6-Diformylpyridine5431-44-7

Elsewhere

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