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Chemical ID: 5988168
Chemical ID:
5988168
Name [?]:
o-tolyl-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)c4ccccc4C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-10-12-17(13-11-15)20-23-21(27-24-20)19-9-5-6-14-25(19)22(26)18-8-4-3-7-16(18)2/h3-4,7-8,10-13,19H,5-6,9,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,15,16,25,22,14,3,7,4,6,17,2,26,5,21,13,8,10,19,9,12,18,20,11/E:(10,11)(12,13)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3019 |
Area: | 558.217 |
Solvation: | -2.65356 |
Coulombic: | -32.1403 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.26 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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