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Chemical ID: 5988516
Chemical ID:
5988516
Name [?]:
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one
SMILES [?]:
CCCCCC(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H24ClN3O2/c1-2-3-4-5-17(24)23-12-10-15(11-13-23)19-21-18(22-25-19)14-6-8-16(20)9-7-14/h6-9,15H,2-5,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,20,24,21,23,10,12,9,13,19,11,22,6,16,14,25,15,17,8,7,18/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5391 |
Area: | 608.777 |
Solvation: | -2.68029 |
Coulombic: | -29.3147 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 361.866 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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