3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C₁₀H₆ClF₃N₂OCAS 175205-63-7262.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₆ClF₃N₂O
Molar mass: 262.62 g/mol
Exact mass: 262.0121 Da
logP: 3.49Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from the 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

175205-63-7

SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=NO2)CCl

InChIKey

INANILNLXTUPHD-UHFFFAOYSA-N

InChI

InChI=1S/C10H6ClF3N2O/c11-5-8-15-9(17-16-8)6-2-1-3-7(4-6)10(12,13)14/h1-4H,5H2

Weigh it out

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Names and synonyms

1 names

3-Chloromethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Work with 3-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-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

3-(Chloromethyl)-5-phenyl-1,2,4-oxadiazole1201-68-960 % similar 3-(Trifluoromethyl)benzyl chloride705-29-348 % similar 3-(Chloromethyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole175205-61-542 % similar 3'-Trifluoromethylbiphenyl-2-ylamine365-06-040 % similar 3,5-Bis(trifluoromethyl)benzene402-31-339 % similar 5-(3-Trifluoromethyl-phenyl)-furan-2-carbaldehyde52130-30-039 % similar 5-[3-(Trifluoromethyl)phenyl]-1H-tetrazole92712-48-639 % similar 3-Chlorobenzotrifluoride98-15-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole175205-84-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook