chempirical

1H-[1,2,4]Oxadiazolo[4,3-A]quinoxalin-1-one

C9H5N3O2CAS 41443-28-1187.16 g/mol

Open in Covalent MOL file
OONNN

Properties

Molecular formula
C9H5N3O2
Molar mass
187.16 g/mol
Exact mass
187.0382 Da
Melting point
163–164 °C
logP
0.84Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
0

Identifiers

CAS number
41443-28-1
SMILES
O=c1onc2cnc3ccccc3n12
InChIKey
LZMHWZHOZLVYDL-UHFFFAOYSA-N
InChI
InChI=1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H

Weigh it out

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

Names and synonyms

2 names
  • ODQ
  • [1,2,4]Oxadiazolo[4,3-a]quinoxalin-1-one

Work with 1H-[1,2,4]Oxadiazolo[4,3-A]quinoxalin-1-one

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-Methylbenzo[D]oxazol-2(3H)-one21892-80-834 % similar 1-Methylbenzimidazole1632-83-333 % similar Perinone4424-06-033 % similar 2(1H)-Quinoxalinone1196-57-232 % similar 3-Acetyl-2(3H)-benzoxazolone24963-28-830 % similar N-Methylisatoic anhydride10328-92-430 % similar

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

Elsewhere

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