chempirical

2,5-Dimethylbenzoxazole

C9H9NOCAS 5676-58-4147.18 g/mol

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Properties

Molecular formula
C9H9NO
Molar mass
147.18 g/mol
Exact mass
147.0684 Da
Melting point
218–220 °C
Boiling point
218.5 °C
logP
2.44Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
5676-58-4
SMILES
Cc1ccc2oc(C)nc2c1
InChIKey
XVQGFGKAPKEUFT-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)10-7(2)11-9/h3-5H,1-2H3

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Names and synonyms

4 names
  • Benzoxazole, 2,5-dimethyl-
  • NSC 93785
  • 2,5-Dimethyl-1,3-benzoxazole
  • 2,5-Dimethylbenzo[d]oxazole

Work with 2,5-Dimethylbenzoxazole

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fluorescent brightener 1351041-00-563 % similar 5-Chloro-2-methylbenzoxazole19219-99-963 % similar 2-Methyl-5-phenylbenzoxazole61931-68-859 % similar 2-Methylbenzoxazole95-21-657 % similar 2,5,6-Trimethylbenzoxazole19219-98-855 % similar 2-Methylnaphth[2,3-D]oxazole20686-66-255 % similar 4,4′-Bis(5-methyl-2-benzoxazolyl)stilbene2397-00-453 % similar 5-Methylbenzoxazole10531-78-948 % similar

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

Same formula

5-Methoxyindole1006-94-6 (4-Methoxyphenyl)acetonitrile104-47-2 Indole-4-methanol1074-85-7 1H-Indole-7-methanol1074-87-9 Indole-5-methanol1075-25-8 6-Hydroxymethylindole1075-26-9 3,4-Dihydroisoquinolin-1(2H)-one1196-38-9 2-Methyl-1H-indol-5-ol13314-85-7

Elsewhere

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