ChemDB: Chemical Search
Download
Chemical ID: 7097893
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
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 |
---|