Chemical ID: 7097893

Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
Chemical ID:
7097893
Name [?]:
(3-methoxyphenyl)-[3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H23N3O3/c1-15-8-10-16(11-9-15)20-23-21(28-24-20)18-6-4-12-25(14-18)22(26)17-5-3-7-19(13-17)27-2/h3,5,7-11,13,18H,4,6,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,23,15,22,14,24,3,7,4,6,16,26,18,2,5,21,13,25,8,10,19,9,12,17,20,27,11/E:(8,9)(10,11)/rA:28cCCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:51
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.4862
Area:610.013
Solvation:-3.76411
Coulombic:-37.9051
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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