4-Bromo-5-methyl-3-isoxazolamine

C4H5BrN2OCAS 5819-40-9177.00 g/mol

Open in Covalent MOL file
ONHNHBr
Aryl halide

Properties

Molecular formula
C4H5BrN2O
Molar mass
177.00 g/mol
Exact mass
175.9585 Da
Melting point
81–82 °C
logP
1.16Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5819-40-9
SMILES
Cc1o[nH]c(=N)c1Br
InChIKey
JEZOZNWEHSNXPQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrN2O/c1-2-3(5)4(6)7-8-2/h1H3,(H2,6,7)

Weigh it out

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Names and synonyms

6 names
  • 3-Isoxazolamine, 4-bromo-5-methyl-
  • Isoxazole, 3-amino-4-bromo-5-methyl-
  • 3-Amino-4-bromo-5-methylisoxazole
  • 4-Bromo-5-methylisoxazol-3-ylamine
  • 4-Bromo-5-methylisoxazole-3-amine
  • 4-Bromo-5-methyl-1,2-oxazol-3-amine

Work with 4-Bromo-5-methyl-3-isoxazolamine

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

4,5-Dimethyl-3-isoxazolamine13999-39-856 % similar 6-Bromo-1,2-benzoxazol-3-amine177995-39-032 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook