5-Methyl-2,3-dihydro-1,3,4-oxadiazol-2-one

C₃H₄N₂O₂CAS 3069-67-8100.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₄N₂O₂
Molar mass: 100.08 g/mol
Exact mass: 100.0273 Da
logP: -0.33Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H332 Harmful if swallowed or if inhaled93.3% of notifiers
H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled93.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 30 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3069-67-8

SMILES

CC1=NNC(=O)O1

InChIKey

NNXROHRFMWHXNH-UHFFFAOYSA-N

InChI

InChI=1S/C3H4N2O2/c1-2-4-5-3(6)7-2/h1H3,(H,5,6)

Weigh it out

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Names and synonyms

1 names

5-Methyl-1,3,4-oxadiazol-2(3H)-one

Work with 5-Methyl-2,3-dihydro-1,3,4-oxadiazol-2-one

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

Trimethyloxazole20662-84-431 % similar 2-Methyl-4H-3,1-benzoxazin-4-one525-76-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Hydantoin461-72-3

Elsewhere

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