Dimethyl-1,2,5-oxadiazole

C4H6N2OCAS 4975-21-798.10 g/mol

Open in Covalent MOL file
NON

Properties

Molecular formula
C4H6N2O
Molar mass
98.10 g/mol
Exact mass
98.0480 Da
logP
0.69Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
4975-21-7
SMILES
CC1=NON=C1C
InChIKey
JKJSZGJVBAWEFB-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N2O/c1-3-4(2)6-7-5-3/h1-2H3

Weigh it out

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

Names and synonyms

12 names
  • 3,4-Dimethyl-1,2,5-oxadiazole
  • 3,4-Dimethylfurazan
  • Dimethylfurazan
  • Furazan, dimethyl-
  • Furazan, 3,4-dimethyl-
  • 3,2,5-Oxadiazole
  • Furazan,4-dimethyl-
  • 1,2,5-Oxadiazole, 3,4-dimethyl-
  • 1,2,5-Oxadiazole,3,4-dimethyl-
  • 3,4-Dimethyl-furazan
  • 3-Nitrotrifluoromethyl benzene
  • 3,4-Dimethyl-[1,2,5]oxadiazole

Reactions

Work with Dimethyl-1,2,5-oxadiazole

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

Tetramethylpyrazine1124-11-440 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-433 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-533 % similar 3,4-Diaminofurazan17220-38-133 % similar 5-Amino-3,4-dimethylisoxazole19947-75-233 % similar 4-Amino-3,5-dimethylisoxazole31329-64-333 % similar 2,3-Dimethylpyrazine5910-89-433 % similar Ligustrazine hydrochloride76494-51-433 % 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 5-Amino-3-methylisoxazole14678-02-5 (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

Elsewhere

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