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SummaryGeometryRelated PDB entries

DD4

Summary
Name:(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
Formula:C13 H14 F N3 O2
Formal charge:0
Formula weight:263.268 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R,5R)-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
OpenEye OEToolkits2.0.6(3~{R},5~{R})-5-[3-(3-fluoranyl-4-methyl-phenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(cc(F)c(C)cc1)c2noc(n2)C3NCC(C3)O
InChIInChI1.03InChI=1S/C13H14FN3O2/c1-7-2-3-8(4-10(7)14)12-16-13(19-17-12)11-5-9(18)6-15-11/h2-4,9,11,15,18H,5-6H2,1H3/t9-,11-/m1/s1
InChIKeyInChI1.03UGTHZDBHYCLBLY-MWLCHTKSSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(cc1F)c2noc(n2)[C@H]3C[C@@H](O)CN3
SMILESCACTVS3.385Cc1ccc(cc1F)c2noc(n2)[CH]3C[CH](O)CN3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccc(cc1F)c2nc(on2)[C@H]3C[C@H](CN3)O
SMILESOpenEye OEToolkits2.0.6Cc1ccc(cc1F)c2nc(on2)C3CC(CN3)O

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PDB entries from 2024-07-17

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