D08

2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide

Created:2017-12-13
Last modified:  2018-05-16

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Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count1
Bond Count61
Aromatic Bond Count6
2D diagram of D08

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Chemical Component Summary

Name2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide
Systematic Name (OpenEye OEToolkits)2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide
FormulaC21 H30 N2 O6
Molecular Weight406.473
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc(cc1OC2CCCC2)C3=NO[CH](CC(=O)N(CCO)CCO)C3
SMILESOpenEye OEToolkits2.0.6COc1ccc(cc1OC2CCCC2)C3=NOC(C3)CC(=O)N(CCO)CCO
Canonical SMILESCACTVS3.385 COc1ccc(cc1OC2CCCC2)C3=NO[C@@H](CC(=O)N(CCO)CCO)C3
Canonical SMILESOpenEye OEToolkits2.0.6 COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO
InChIInChI1.03 InChI=1S/C21H30N2O6/c1-27-19-7-6-15(12-20(19)28-16-4-2-3-5-16)18-13-17(29-22-18)14-21(26)23(8-10-24)9-11-25/h6-7,12,16-17,24-25H,2-5,8-11,13-14H2,1H3/t17-/m1/s1
InChIKeyInChI1.03 VUQABPCUWUTWEU-QGZVFWFLSA-N

Related Resource References

Resource NameReference
PubChem 137349147