5-Amino-3,4-dimethylisoxazole

C₅H₈N₂OCAS 19947-75-2112.13 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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 3,5-Dimethyl-4-isoxazolemethanol19788-36-430 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-530 % similar 5-Amino-3-methylisoxazole14678-02-530 % 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 Imidazole-1-ethanol1615-14-1 1,3-Dimethyl-5-pyrazolone2749-59-9 4-(Hydroxymethyl)-5-methylimidazole29636-87-1 4,5-Dihydro-6-methyl-3(2H)-pyridazinone5157-08-4 1-Methyl-1H-pyrazole-5-methanol84547-61-5

Elsewhere

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