LTF

(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide

Created: 2013-01-29
Last modified:  2013-10-30

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count43
Aromatic Bond Count6
2D diagram of LTF

Chemical Component Summary

Name(4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)(4R)-2-(3,4-dimethoxy-5-propyl-phenyl)-N-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
FormulaC15 H20 N2 O5
Molecular Weight308.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(NO)C1N=C(OC1)c2cc(OC)c(OC)c(c2)CCC
SMILESCACTVS3.370CCCc1cc(cc(OC)c1OC)C2=N[CH](CO2)C(=O)NO
SMILESOpenEye OEToolkits1.7.6CCCc1cc(cc(c1OC)OC)C2=NC(CO2)C(=O)NO
Canonical SMILESCACTVS3.370 CCCc1cc(cc(OC)c1OC)C2=N[C@H](CO2)C(=O)NO
Canonical SMILESOpenEye OEToolkits1.7.6 CCCc1cc(cc(c1OC)OC)C2=N[C@H](CO2)C(=O)NO
InChIInChI1.03 InChI=1S/C15H20N2O5/c1-4-5-9-6-10(7-12(20-2)13(9)21-3)15-16-11(8-22-15)14(18)17-19/h6-7,11,19H,4-5,8H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyInChI1.03 DGGKRIGJIQRXQD-LLVKDONJSA-N

Related Resource References

Resource NameReference
PubChem 9839581
ChEMBL CHEMBL107313