chempirical

Isoxadifen-ethyl

C18H17NO3CAS 163520-33-0295.34 g/mol

Open in Covalent MOL file
OONO
EsterOxime

Properties

Molecular formula
C18H17NO3
Molar mass
295.34 g/mol
Exact mass
295.1208 Da
Melting point
87–88 °C
logP
3.27Crippen estimate
Polar surface area
47.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
163520-33-0
SMILES
CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIKey
MWKVXOJATACCCH-UHFFFAOYSA-N
InChI
InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

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Names and synonyms

4 names
  • 3-Isoxazolecarboxylic acid, 4,5-dihydro-5,5-diphenyl-, ethyl ester
  • HOE 122006
  • AE-F 122006
  • Isoxadifen ethyl ester

Work with Isoxadifen-ethyl

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-Phenyl-3-carbethoxy-5-pyrazolone89-33-846 % similar Ethyl 2-phenylisobutyrate2901-13-544 % similar Diethyl benzylidenemalonate5292-53-544 % similar Ethyl oxanilate1457-85-843 % similar Ethyl benzilate52182-15-743 % similar Ethyl α,α-dichlorobenzeneacetate5317-66-843 % similar Ethyl α-oxobenzenebutanoate64920-29-243 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-543 % similar

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

Same formula

trans-1-Benzoyl-4-phenyl-L-proline120851-71-0 Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-7 Indobufen63610-08-2

Elsewhere

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