Chemical ID: 5193080

c1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl
Chemical ID:
5193080
Name [?]:
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H18ClN3O2/c21-17-10-8-14(9-11-17)18-22-19(26-23-18)16-7-4-12-24(13-16)20(25)15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,21,25,22,24,10,14,20,4,13,23,17,15,7,26,16,18,9,8,19/E:(2,3)(5,6)(8,9)(10,11)/rA:26cCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s13;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:1
ZAP Information [?]
Total:12.1463
Area:581.429
Solvation:-2.38941
Coulombic:-32.1549
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):4.14

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Descriptor Annotations

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