Etoxazole

C₂₁H₂₃F₂NO₂CAS 153233-91-1359.42 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₂₁H₂₃F₂NO₂
Molar mass: 359.42 g/mol
Exact mass: 359.1697 Da
Density: 1.24 g/mL (at 20 °C)
Melting point: 101.5 °C
logP: 5.18Crippen estimate
Polar surface area: 30.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 603-199-00-8), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

153233-91-1

SMILES

CCOc1cc(C(C)(C)C)ccc1C1COC(c2c(F)cccc2F)=N1

InChIKey

IXSZQYVWNJNRAL-UHFFFAOYSA-N

InChI

InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3

Weigh it out

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

Names and synonyms

8 names

2-(2,6-Difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydrooxazole
Oxazole, 2-(2,6-difluorophenyl)-4-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-
YI 5301
Baroque
TetraSan
Borneo
Zeal
Yimanzuo

Work with Etoxazole

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

1-Ethoxy-2,3-difluorobenzene121219-07-636 % similar 1-Ethoxy-2-fluorobenzene451-80-936 % similar (S,S)-2,2-Bis(4-phenyl-2-oxazolin-2-yl)propane131457-46-032 % similar (R,R)-2,2'-(Dimethylmethylene)bis(4-phenyl-2-oxazoline)150529-93-432 % similar (R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-731 % similar (S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine174500-20-031 % similar Ethyl (4-tert-butylphenyl)(oxo)acetate80120-36-131 % similar Ethyl 4-(1,1-dimethylethyl)benzoate5406-57-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia