Chemical ID: 5988288

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)Cl
Chemical ID:
5988288
Name [?]:
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClN3O3/c1-27-18-8-4-14(5-9-18)19-23-20(28-24-19)15-10-12-25(13-11-15)21(26)16-2-6-17(22)7-3-16/h2-9,15H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,27,5,7,24,26,4,8,15,19,16,18,6,14,22,25,3,9,11,20,28,10,13,17,21,2,12/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:28nCOCCCCCCCNCONCCCNCCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4999
Area:619.982
Solvation:-3.9997
Coulombic:-37.793
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.855
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):3.74

Name Annotations

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Descriptor Annotations

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