Chemical ID: 5988505

c1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5988505
Name [?]:
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H18ClN3O2/c21-17-8-6-14(7-9-17)18-22-19(26-23-18)15-10-12-24(13-11-15)20(25)16-4-2-1-3-5-16/h1-9,15H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,22,24,11,13,10,14,20,12,4,23,17,15,7,26,16,18,9,8,19/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.9237
Area:582.095
Solvation:-2.62868
Coulombic:-31.8034
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.829
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):3.99

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Descriptor Annotations

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