Chemical ID: 5988681

CCCCC(CC)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
Chemical ID:
5988681
Name [?]:
2-ethyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-hexan-1-one
SMILES [?]:
CCCCC(CC)C(=O)N1CCCC(C1)c2nc(no2)c3ccc(cc3)F
InChi [?]:
InChI=1/C21H28FN3O2/c1-3-5-7-15(4-2)21(26)25-13-6-8-17(14-25)20-23-19(24-27-20)16-9-11-18(22)12-10-16/h9-12,15,17H,3-8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,2,6,3,12,4,13,22,26,23,25,11,15,5,21,14,24,18,16,8,27,17,19,10,9,20/E:(9,10)(11,12)/rA:27cCCCCCCCCONCCCCCCNCNOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28FN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:11.9239
Area:608.057
Solvation:-3.27748
Coulombic:-33.4958
Bond Count [?]
All:29
Single:23
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:373.464
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.22
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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