chempirical

Etoxazole

C21H23F2NO2CAS 153233-91-1359.42 g/mol

Open in Covalent MOL file
OOFFN
Aryl halideEther

Properties

Molecular formula
C21H23F2NO2
Molar mass
359.42 g/mol
Exact mass
359.1697 Da
Melting point
101.5 °C
logP
5.18Crippen estimate
Polar surface area
30.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

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

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

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)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine128249-70-731 % similar Ethyl 4-(1,1-dimethylethyl)benzoate5406-57-530 % similar

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

Elsewhere

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