8S9

3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid

Created:2017-01-18
Last modified:  2018-02-28

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count23
2D diagram of 8S9

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Chemical Component Summary

Name3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
Systematic Name (OpenEye OEToolkits)3-[4-(3,4-dichlorophenyl)-5-phenyl-1,3-oxazol-2-yl]benzoic acid
FormulaC22 H13 Cl2 N O3
Molecular Weight410.25
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl
Canonical SMILESCACTVS3.385 OC(=O)c1cccc(c1)c2oc(c3ccccc3)c(n2)c4ccc(Cl)c(Cl)c4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(cc1)c2c(nc(o2)c3cccc(c3)C(=O)O)c4ccc(c(c4)Cl)Cl
InChIInChI1.03 InChI=1S/C22H13Cl2NO3/c23-17-10-9-14(12-18(17)24)19-20(13-5-2-1-3-6-13)28-21(25-19)15-7-4-8-16(11-15)22(26)27/h1-12H,(H,26,27)
InChIKeyInChI1.03 PQUPXYCKNHJSHO-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 132281867