Chemical ID: 5988287

COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)OC
Chemical ID:
5988287
Name [?]:
(4-methoxyphenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-18-7-3-15(4-8-18)20-23-21(29-24-20)16-11-13-25(14-12-16)22(26)17-5-9-19(28-2)10-6-17/h3-10,16H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,5,7,23,27,4,8,24,26,15,19,16,18,6,14,22,3,25,9,11,20,10,13,17,21,2,28,12/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCOCCCCCCCNCONCCCNCCCOCCCCCCOC/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.2687
Area:622.518
Solvation:-5.29427
Coulombic:-43.9327
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.436
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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