Chemical ID: 5901031

c1cc(ccc1c2nc(on2)C3CCCCN3C(=O)CCCCCN)Cl
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue