3,5-Dimethyl-4-isoxazolemethanol

C₆H₉NO₂CAS 19788-36-4127.14 g/mol

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Properties

Molecular formula: C₆H₉NO₂
Molar mass: 127.14 g/mol
Exact mass: 127.0633 Da
Melting point: 73–74 °C
logP: 0.78Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

19788-36-4

SMILES

Cc1noc(C)c1CO

InChIKey

JISPGFYJPXGNBY-UHFFFAOYSA-N

InChI

InChI=1S/C6H9NO2/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3

Weigh it out

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Names and synonyms

6 names

4-Isoxazolemethanol, 3,5-dimethyl-
NSC 151752
(3,5-Dimethylisoxazol-4-yl)methanol
(3,5-Dimethyl-1,2-oxazol-4-yl)methanol
(Dimethyl-1,2-oxazol-4-yl)methanol
3,5-Dimethyl-4-(hydroxymethyl)isoxazole

Work with 3,5-Dimethyl-4-isoxazolemethanol

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-(Chloromethyl)-3,5-dimethylisoxazole19788-37-559 % similar 3,5-Dimethylisoxazole-4-boronic acid16114-47-944 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-443 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-543 % similar 4-Amino-3,5-dimethylisoxazole31329-64-343 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-340 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-939 % similar 3,5-Dimethyl-4-nitroisoxazole1123-49-536 % 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 (1S,2S,5R)-3-Azabicyclo[3.1.0]hexane-2-carboxylic acid22255-16-9 α-(Aminomethyl)-2-furanmethanol2745-22-4 5-Ethoxy-4-methyloxazole5006-20-2 1-Acetyl-2-pyrrolidone932-17-2

Elsewhere

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