chempirical

2,5-Bis(1-naphthyl)-1,3,4-oxadiazole

C22H14N2OCAS 905-62-4322.37 g/mol

Open in Covalent MOL file
NNO

Properties

Molecular formula
C22H14N2O
Molar mass
322.37 g/mol
Exact mass
322.1106 Da
Melting point
178–178.5 °C
logP
5.71Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
905-62-4
SMILES
c1ccc2c(-c3nnc(-c4cccc5ccccc45)o3)cccc2c1
InChIKey
MUNFOTHAFHGRIM-UHFFFAOYSA-N
InChI
InChI=1S/C22H14N2O/c1-3-11-17-15(7-1)9-5-13-19(17)21-23-24-22(25-21)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H

Weigh it out

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

Names and synonyms

9 names
  • 1,3,4-Oxadiazole, 2,5-di-1-naphthalenyl-
  • 1,3,4-Oxadiazole, 2,5-di-1-naphthyl-
  • 2,5-Di-1-naphthalenyl-1,3,4-oxadiazole
  • 2,5-Bis(α-naphthyl)oxadiazole
  • 2,5-Di-1-naphthyl-1,3,4-oxadiazole
  • ANND
  • α-NND
  • NSC 90480
  • BND

Work with 2,5-Bis(1-naphthyl)-1,3,4-oxadiazole

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

1,1'-Binaphthyl604-53-558 % similar 2-(1-Naphthyl)-5-phenyloxazole846-63-954 % similar 1-Phenylnaphthalene605-02-750 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-243 % similar 1-Naphthol90-15-343 % similar 4-(1-Naphthalenyl)benzenamine125404-00-442 % similar Phenanthrene85-01-840 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-040 % similar

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

Elsewhere

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