4-Iodo-3,5-dimethylisoxazole

C₅H₆INOCAS 10557-85-4223.01 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆INO
Molar mass: 223.01 g/mol
Exact mass: 222.9494 Da
logP: 1.90Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

10557-85-4

SMILES

CC1=C(C(=NO1)C)I

InChIKey

NMNOXVWRJISEFE-UHFFFAOYSA-N

InChI

InChI=1S/C5H6INO/c1-3-5(6)4(2)8-7-3/h1-2H3

Weigh it out

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

Names and synonyms

1 names

4-Iodo-3,5-dimethyl-1,2-oxazole

Work with 4-Iodo-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-Bromo-3,5-dimethylisoxazole10558-25-548 % similar 4-Amino-3,5-dimethylisoxazole31329-64-348 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook