Chemical ID: 5988679

c1ccc(cc1)OCC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F
Chemical ID:
5988679
Name [?]:
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenoxy-ethanone
SMILES [?]:
c1ccc(cc1)OCC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C21H20FN3O3/c22-17-10-8-15(9-11-17)20-23-21(28-24-20)16-5-4-12-25(13-16)19(26)14-27-18-6-2-1-3-7-18/h1-3,6-11,16H,4-5,12-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,14,3,5,23,27,24,26,12,16,8,22,15,25,4,9,19,17,28,18,20,11,10,7,21/E:(2,3)(6,7)(8,9)(10,11)/rA:28cCCCCCCOCCONCCCCCCNCNOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20FN3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.57857
Area:603.499
Solvation:-5.5089
Coulombic:-40.3357
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.4
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.53

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Descriptor Annotations

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