chempirical

4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline

C14H12N4OCAS 2425-95-8252.28 g/mol

Open in Covalent MOL file
H2NNNNH2O
Primary amine

Properties

Molecular formula
C14H12N4O
Molar mass
252.28 g/mol
Exact mass
252.1011 Da
Melting point
254–255 °C
logP
2.57Crippen estimate
Polar surface area
91.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2425-95-8
SMILES
Nc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
InChIKey
MJZXFMSIHMJQBW-UHFFFAOYSA-N
InChI
InChI=1S/C14H12N4O/c15-11-5-1-9(2-6-11)13-17-18-14(19-13)10-3-7-12(16)8-4-10/h1-8H,15-16H2

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Names and synonyms

7 names
  • 2,5-Bis(4-aminophenyl)-1,3,4-oxadiazole
  • Benzenamine, 4,4′-(1,3,4-oxadiazole-2,5-diyl)bis-
  • 1,3,4-Oxadiazole, 2,5-bis(p-aminophenyl)-
  • 4,4′-(1,3,4-Oxadiazole-2,5-diyl)bis[benzenamine]
  • 2,5-Bis(p-aminophenyl)-1,3,4-oxadiazole
  • 2,5-Di(p-aminophenyl)-1,3,4-oxadiazole
  • 2,5-Bis(4′-aminophenyl)-1,3,4-oxadiazole

Work with 4,4'-(1,3,4-Oxadiazole-2,5-diyl)dianiline

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

2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-056 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-254 % similar 4,4''-Diaminoterphenyl3365-85-352 % similar Benzidine92-87-552 % similar 2-(p-Aminophenyl)benzoxazole20934-81-050 % similar 2,4,6-Tris(4-aminophenyl)-1,3,5-triazine14544-47-948 % similar 1,3,5-Tri(4-aminophenyl)benzene118727-34-746 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-146 % similar

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

Same formula

Cu-cpt-8M125079-83-6

Elsewhere

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