ChemDB: Chemical Search
Download
Chemical ID: 5988206
Chemical ID:
5988206
Name [?]:
o-tolyl-[4-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)c4ccccc4C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-7-9-17(10-8-15)20-23-21(27-24-20)18-11-13-25(14-12-18)22(26)19-6-4-3-5-16(19)2/h3-10,18H,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,24,23,25,22,3,7,4,6,14,18,15,17,2,26,5,13,21,8,10,19,9,12,16,20,11/E:(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCNCONCCCNCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1324 |
Area: | 586.519 |
Solvation: | -2.5306 |
Coulombic: | -31.5461 |
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: | 4.83 |
LogP (Chemaxon): | 4.41 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|