5-Amino-3-methylisoxazole

C4H6N2OCAS 14678-02-598.11 g/mol

Open in Covalent MOL file
NH2ON
Primary amine

Properties

Molecular formula
C4H6N2O
Molar mass
98.11 g/mol
Exact mass
98.0480 Da
Melting point
84–85 °C
logP
0.57Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 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
14678-02-5
SMILES
Cc1cc(N)on1
InChIKey
FNXYWHTZDAVRTB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O/c1-3-2-4(5)7-6-3/h2H,5H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 5-Isoxazolamine, 3-methyl-
  • Isoxazole, 5-amino-3-methyl-
  • 3-Methyl-5-isoxazolamine
  • 3-Methyl-5-aminoisoxazole
  • 5-Amino-3-methyl-1,2-oxazole
  • 3-Methyl-5-isoxazolylamine
  • NSC 93421
  • 3-Methyl-1,2-oxazol-5-ylamine
  • 3-Methyl-1,2-oxazol-5-amine

Work with 5-Amino-3-methylisoxazole

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

3,5-Dimethylisoxazole300-87-850 % similar 5-Amino-3-phenylisoxazole4369-55-543 % similar 5-(Bromomethyl)-3-methylisoxazole36958-61-941 % similar 3-Methyl-5-isoxazolecarboxylic acid4857-42-538 % similar 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-137 % similar 3-Methyl-5-isoxazoleacetic acid 9819668-85-034 % similar 5-Isoxazolamine14678-05-833 % similar 2-Amino-4,6-dimethylpyridine5407-87-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-methylisoxazole1072-67-9 3-Methyl-2-pyrazolin-5-one108-26-9 1,3-Dihydro-4-methyl-2H-imidazol-2-one1192-34-3 (1H-Pyrazol-3-yl)methanol23585-49-1 1H-Pyrazole-4-methanol25222-43-9 1-Methyl-1H-pyrazol-5-ol33641-15-5 2-Amino-4-methyloxazole35629-70-0 1H-Imidazole-2-methanol3724-26-3

Elsewhere

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