ChemDB: Chemical Search
Download
Chemical ID: 5988715
Chemical ID:
5988715
Name [?]:
1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one
SMILES [?]:
CCCCCC(=O)N1CCCCC1c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H24FN3O2/c1-2-3-4-8-17(24)23-13-6-5-7-16(23)19-21-18(22-25-19)14-9-11-15(20)12-10-14/h9-12,16H,2-8,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,11,10,12,5,20,24,21,23,9,19,22,13,6,16,14,25,15,17,8,7,18/E:(9,10)(11,12)/rA:25cCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.377 |
Area: | 559.281 |
Solvation: | -3.60504 |
Coulombic: | -32.7781 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 345.411 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 4.11 |
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 |
---|