chempirical

2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole

C29H20N2O2CAS 5242-49-9428.49 g/mol

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ONON
Alkene

Properties

Molecular formula
C29H20N2O2
Molar mass
428.49 g/mol
Exact mass
428.1525 Da
logP
7.78Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
5242-49-9
SMILES
Cc1ccc2oc(-c3ccc(C=Cc4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1
InChIKey
SOTPOQQKAUOHRO-UHFFFAOYSA-N
InChI
InChI=1S/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3

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Names and synonyms

7 names
  • Benzoxazole, 2-[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]phenyl]-5-methyl-
  • Benzoxazole, 5-methyl-2,2′-(vinylenedi-p-phenylene)bis-
  • 2-[4-[4-(2-Benzoxazolyl)styryl]phenyl]-5-methylbenzoxazole
  • 4-(2-Benzoxazolyl)-4′-(5-methyl-2-benzoxazolyl)stilbene
  • Hostalux KS
  • Hostalux KS-N
  • 2-(4-(4-(Benzo[d]oxazol-2-yl)styryl)phenyl)-5-methylbenzo[d]oxazole

Work with 2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole

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

4,4′-Bis(5-methyl-2-benzoxazolyl)stilbene2397-00-487 % similar 4,4′-Bis(2-benzoxazolyl)stilbene1533-45-574 % similar 2-Phenylbenzoxazole833-50-153 % similar Fluorescent brightener 1351041-00-551 % similar 2-(P-Aminophenyl)benzoxazole20934-81-050 % similar 2-(4-Bromophenyl)benzoxazole3164-13-450 % similar (4-(Benzo[d]oxazol-2-yl)phenyl)boronic acid1065657-51-347 % similar 2,5-Dimethylbenzoxazole5676-58-447 % similar

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

Elsewhere

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