DWB

(4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine

Created:2012-07-03
Last modified:  2012-09-07

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count1
Bond Count49
Aromatic Bond Count18
2D diagram of DWB

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(4S)-2'-(5-chloro-2-fluorophenyl)-7'-methoxyspiro[1,3-oxazole-4,9'-xanthen]-2-amine
Systematic Name (OpenEye OEToolkits)(4S)-2'-(5-chloranyl-2-fluoranyl-phenyl)-7'-methoxy-spiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
FormulaC22 H16 Cl F N2 O3
Molecular Weight410.825
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cc(c(F)cc1)c5ccc4Oc2c(cc(OC)cc2)C3(N=C(OC3)N)c4c5
SMILESCACTVS3.370COc1ccc2Oc3ccc(cc3[C]4(COC(=N4)N)c2c1)c5cc(Cl)ccc5F
SMILESOpenEye OEToolkits1.7.6COc1ccc2c(c1)C3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl
Canonical SMILESCACTVS3.370 COc1ccc2Oc3ccc(cc3[C@@]4(COC(=N4)N)c2c1)c5cc(Cl)ccc5F
Canonical SMILESOpenEye OEToolkits1.7.6 COc1ccc2c(c1)[C@]3(COC(=N3)N)c4cc(ccc4O2)c5cc(ccc5F)Cl
InChIInChI1.03 InChI=1S/C22H16ClFN2O3/c1-27-14-4-7-20-17(10-14)22(11-28-21(25)26-22)16-8-12(2-6-19(16)29-20)15-9-13(23)3-5-18(15)24/h2-10H,11H2,1H3,(H2,25,26)/t22-/m0/s1
InChIKeyInChI1.03 WIRKEQRUHLXVOQ-QFIPXVFZSA-N

Related Resource References

Resource NameReference
PubChem 45255110