chempirical

(4-(Benzo[d]oxazol-2-yl)phenyl)boronic acid

C13H10BNO3CAS 1065657-51-3239.04 g/mol

Open in Covalent MOL file
BNOHOOH
Boronic acid

Properties

Molecular formula
C13H10BNO3
Molar mass
239.04 g/mol
Exact mass
239.0754 Da
logP
1.17Crippen estimate
Polar surface area
66.5 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
1065657-51-3
SMILES
B(C1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)(O)O
InChIKey
PTTJBNMNZAUITF-UHFFFAOYSA-N
InChI
InChI=1S/C13H10BNO3/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8,16-17H

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Names and synonyms

1 names
  • 4-(2-Benzo[D]oxazolyl)phenylboronic acid

Work with (4-(Benzo[d]oxazol-2-yl)phenyl)boronic acid

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-Phenylbenzoxazole833-50-164 % similar 4,4′-Bis(2-benzoxazolyl)stilbene1533-45-559 % similar 2-(P-Aminophenyl)benzoxazole20934-81-059 % similar 2-(4-Bromophenyl)benzoxazole3164-13-459 % similar 2-(3-Bromophenyl)benzoxazole99586-31-948 % similar 2-(2-Hydroxyphenyl)benzoxazole835-64-348 % similar 1,4-Bis(2-benzoxazolyl)naphthalene5089-22-547 % similar 2-[4-[2-[4-(2-Benzoxazolyl)phenyl]ethenyl]phenyl]-5-methylbenzoxazole5242-49-947 % similar

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

Elsewhere

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