chempirical

Butyl pbd

C24H22N2OCAS 15082-28-7354.45 g/mol

Open in Covalent MOL file
NNO

Properties

Molecular formula
C24H22N2O
Molar mass
354.45 g/mol
Exact mass
354.1732 Da
logP
6.37Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
15082-28-7
SMILES
CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIKey
XZCJVWCMJYNSQO-UHFFFAOYSA-N
InChI
InChI=1S/C24H22N2O/c1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-16H,1-3H3

Weigh it out

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

Names and synonyms

22 names · show all
  • 1,3,4-Oxadiazole, 2-[1,1′-biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-
  • 1,3,4-Oxadiazole, 2-(4-biphenylyl)-5-(p-tert-butylphenyl)-
  • 2-[1,1′-Biphenyl]-4-yl-5-[4-(1,1-dimethylethyl)phenyl]-1,3,4-oxadiazole
  • 2-(4′-tert-Butylphenyl)-5-(4′′-biphenylyl)-1,3,4-oxadiazole
  • 2-(4′-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole
  • 2-(4-tert-Butylphenyl)-5-(4-biphenylyl)-1,3,4-oxadiazole
  • 2-(4-tert-Butylphenyl)-5-(4′-biphenyl)-1,3,4-oxadiazole
  • Butyl-PBD
  • b-PBD
  • 2-(4-tert-Butylphenyl)-5-(4-biphenyl)-1,3,4-oxadiazole
  • 2-(4-Biphenylyl)-5-(4-tertiary-butylphenyl)-1,3,4-oxadiazole
  • 2-(4-Biphenylyl)-5-(4-t-butylphenyl)-1,3,4-oxadiazole
  • 2-(4-Biphenylyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
  • tert-Butylphenyl-p-biphenyloxadiazole
  • 2-(4-Biphenyl)-5-(4-tert-butylphenyl)-1,3,4-oxadiazole
  • 2-[1,1′-Biphenyl]-4-yl-5-(4′-tert-butyl)phenyl-1,3,4-oxadiazole
  • PBD
  • NSC 158164
  • 5-(4-tert-Butylphenyl)-2-(biphenyl-4-yl)-1,3,4-oxadiazole
  • 5-(4-Biphenylyl)-2-(4-tert-butylphenyl)-1,3,4-oxadiazole
  • 2-(4-tert-Butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
  • tert-Butyl PBD

Work with Butyl pbd

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

1,3-Bis(2-(4-tert-butylphenyl)-1,3,4-oxadiazo-5-yl)benzene138372-67-578 % similar 4-tert-Butylbiphenyl1625-92-968 % similar 2-(4-Biphenylyl)-5-phenyl-1,3,4-oxadiazole852-38-068 % similar 2,5-Diphenyl-1,3,4-oxadiazole725-12-261 % similar 3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole150405-69-955 % similar 4,4′-Bis(1,1-dimethylethyl)-1,1′-biphenyl1625-91-854 % similar tert-Butylbenzene98-06-648 % similar 5-Phenyl-1,3,4-oxadiazole-2-thiol3004-42-046 % similar

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

Elsewhere

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