ChemDB: Chemical Search
Download
Chemical ID: 5193080
Chemical ID:
5193080
Name [?]:
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H18ClN3O2/c21-17-10-8-14(9-11-17)18-22-19(26-23-18)16-7-4-12-24(13-16)20(25)15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,3,5,12,21,25,22,24,10,14,20,4,13,23,17,15,7,26,16,18,9,8,19/E:(2,3)(5,6)(8,9)(10,11)/rA:26cCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1463 |
Area: | 581.429 |
Solvation: | -2.38941 |
Coulombic: | -32.1549 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.829 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 4.14 |
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 |
---|