5-Ethoxy-4-methyloxazole

C₆H₉NO₂CAS 5006-20-2127.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₉NO₂
Molar mass: 127.14 g/mol
Exact mass: 127.0633 Da
Boiling point: 78–80 °C (at 50 Torr)
logP: 1.38Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H300 Fatal if swallowed50% of notifiers
H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H320 Causes eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 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, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5006-20-2

SMILES

CCOc1ocnc1C

InChIKey

FWPDSAJKWKRRJD-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NO2/c1-3-8-6-5(2)7-4-9-6/h4H,3H2,1-2H3

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

Names and synonyms

2 names

Oxazole, 5-ethoxy-4-methyl-
4-Methyl-5-ethoxyoxazole

Work with 5-Ethoxy-4-methyloxazole

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

2-Ethoxy-3-methylpyrazine32737-14-747 % similar 2-Ethoxy-3-ethylpyrazine35243-43-736 % similar 4-Methyl-1,3-oxazole-5-carboxylic acid2510-32-935 % similar 2-Ethoxythiazole15679-19-334 % similar 3-Bromo-2-ethoxypyridine57883-25-734 % similar 2-Ethoxy-3-isopropylpyrazine72797-16-134 % similar 1,4-Diethoxybenzene122-95-233 % similar 2-Ethoxypyridine14529-53-433 % similar

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

Same formula

1-Methylethyl 2-cyanoacetate13361-30-3 (1R,4S)-4-Aminocyclopent-2-ene-1-carboxylic acid134003-04-6 Propyl cyanoacetate14447-15-5 Ethyl 2-cyanopropanoate1572-99-2 3,5-Dimethyl-4-isoxazolemethanol19788-36-4 (1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid22255-16-9 α-(Aminomethyl)-2-furanmethanol2745-22-4 1-Acetyl-2-pyrrolidone932-17-2

Elsewhere

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