Chemical ID: 5988672

CC(C)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
Chemical ID:
5988672
Name [?]:
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-methyl-propan-1-one
SMILES [?]:
CC(C)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C17H20FN3O2/c1-11(2)17(22)21-9-3-4-13(10-21)16-19-15(20-23-16)12-5-7-14(18)8-6-12/h5-8,11,13H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,18,22,19,21,7,11,2,17,10,20,14,12,4,23,13,15,6,5,16/E:(1,2)(5,6)(7,8)/rA:23cCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.64646
Area:517.407
Solvation:-3.28871
Coulombic:-32.1065
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.358
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.94
LogP (Chemaxon):3.22

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Descriptor Annotations

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