5-Amino-3,4-dimethylisoxazole

C5H8N2OCAS 19947-75-2112.13 g/mol

Open in Covalent MOL file
NONH2
Primary amine

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
Melting point
125 °C
logP
0.87Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
19947-75-2
SMILES
Cc1noc(N)c1C
InChIKey
PYNDWPFZDQONDV-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-3-4(2)7-8-5(3)6/h6H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 5-Isoxazolamine, 3,4-dimethyl-
  • Isoxazole, 5-amino-3,4-dimethyl-
  • 3,4-Dimethyl-5-isoxazolamine
  • 3,4-Dimethyl-5-isoxazolylamine
  • 3,4-Dimethyl-5-aminoisoxazole
  • NSC 143787
  • 3,4-Dimethyl-1,2-oxazol-5-amine

Work with 5-Amino-3,4-dimethylisoxazole

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

Sulfisoxazole127-69-537 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-433 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-533 % similar Dimethyl-1,2,5-oxadiazole4975-21-733 % similar 3,5-Dimethylisoxazole-4-boronic acid16114-47-930 % similar 3,5-Dimethyl-4-isoxazolemethanol19788-36-430 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-530 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1 4-Amino-3,5-dimethylisoxazole31329-64-3

Elsewhere

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