Chemical ID: 5988849

COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCCC4
Chemical ID:
5988849
Name [?]:
cyclopentyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCCC4
InChi [?]:
InChI=1/C20H25N3O3/c1-25-16-10-6-9-15(13-16)18-21-19(26-22-18)17-11-4-5-12-23(17)20(24)14-7-2-3-8-14/h6,9-10,13-14,17H,2-5,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,16,17,5,23,26,6,4,15,18,8,22,7,3,14,9,11,20,10,13,19,21,2,12/E:(2,3)(7,8)/rA:26cCOCCCCCCCNCONCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.74459
Area:554.821
Solvation:-4.12594
Coulombic:-35.9079
Bond Count [?]
All:29
Single:23
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.431
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.93
LogP (Chemaxon):3.38

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Descriptor Annotations

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