4-Amino-3,5-dimethylisoxazole

C5H8N2OCAS 31329-64-3112.13 g/mol

Open in Covalent MOL file
NOH2N
Primary amine

Properties

Molecular formula
C5H8N2O
Molar mass
112.13 g/mol
Exact mass
112.0637 Da
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 40 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
31329-64-3
SMILES
CC1=C(C(=NO1)C)N
InChIKey
INSUSOZBMWJGDG-UHFFFAOYSA-N
InChI
InChI=1S/C5H8N2O/c1-3-5(6)4(2)8-7-3/h6H2,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 3,5-Dimethyl-4-isoxazolamine

Work with 4-Amino-3,5-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

4-Iodo-3,5-dimethylisoxazole10557-85-448 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-548 % similar 3,5-Dimethylisoxazole-4-boronic acid16114-47-943 % similar 3,5-Dimethyl-4-isoxazolemethanol19788-36-443 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-543 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-943 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-539 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-339 % 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 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-Hydroxymethyl-5-methyl-1H-imidazole29636-87-1

Elsewhere

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