Chemical ID: 5988197

Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4Cl
Chemical ID:
5988197
Name [?]:
(2-chlorophenyl)-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-6-8-15(9-7-14)19-23-20(27-24-19)16-10-12-25(13-11-16)21(26)17-4-2-3-5-18(17)22/h2-9,16H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,24,22,25,3,7,4,6,14,18,15,17,2,5,13,21,26,8,10,19,27,9,12,16,20,11/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0618
Area:595.597
Solvation:-2.82808
Coulombic:-31.3029
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.855
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.01
LogP (Chemaxon):4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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