ChemDB: Chemical Search
Download
Chemical ID: 5901031
Chemical ID:
5901031
Name [?]:
6-amino-1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-hexan-1-one
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCN3C(=O)CCCCCN)Cl
InChi [?]:
InChI=1/C19H25ClN4O2/c20-15-10-8-14(9-11-15)18-22-19(26-23-18)16-6-3-5-13-24(16)17(25)7-2-1-4-12-21/h8-11,16H,1-7,12-13,21H2
InChi Info:
AuxInfo=1/0/N:22,21,14,23,15,13,20,1,5,2,4,24,16,6,3,12,18,7,9,26,25,8,11,17,19,10/E:(8,9)(10,11)/rA:26cCCCCCCCNCONCCCCCNCOCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s17;d18;s18;s20;s21;s22;s23;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25ClN4O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.0552 |
Area: | 613.752 |
Solvation: | -3.28856 |
Coulombic: | -41.4297 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 376.88 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.99 |
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 |
---|