Chemical ID: 5988579

c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)Cl
Chemical ID:
5988579
Name [?]:
(3-chlorophenyl)-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
c1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H18ClN3O2/c21-17-10-4-8-15(12-17)20(25)24-11-5-9-16(13-24)19-22-18(23-26-19)14-6-2-1-3-7-14/h1-4,6-8,10,12,16H,5,9,11,13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,14,3,5,21,13,23,15,25,17,4,20,12,24,7,9,18,26,8,11,16,19,10/E:(2,3)(6,7)/rA:26cCCCCCCCNCONCCCCNCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s16;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.2269
Area:584.446
Solvation:-2.38422
Coulombic:-32.0794
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

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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