1H2

3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol

Created:2013-02-01
Last modified:  2013-02-08

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count1
Bond Count41
Aromatic Bond Count17
2D diagram of 1H2

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Chemical Component Summary

Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-hydroxy(phenyl)methyl]phenol
Systematic Name (OpenEye OEToolkits)3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(R)-oxidanyl(phenyl)methyl]phenol
FormulaC18 H17 N O3
Molecular Weight295.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3oc(c(c1cc(O)cc(c1)C(O)c2ccccc2)c3C)C
SMILESCACTVS3.370Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3ccccc3
SMILESOpenEye OEToolkits1.7.6Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O
Canonical SMILESCACTVS3.370 Cc1onc(C)c1c2cc(O)cc(c2)[C@H](O)c3ccccc3
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O
InChIInChI1.03 InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1
InChIKeyInChI1.03 FEQUIPXIENTMJN-GOSISDBHSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2335147
PubChem 70699440
ChEMBL CHEMBL2335147