Chemical ID: 5987940

c1cc(ccc1c2nc(on2)C3CCCCN3)F
Chemical ID:
5987940
Name [?]:
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCN3)F
InChi [?]:
InChI=1/C13H14FN3O/c14-10-6-4-9(5-7-10)12-16-13(18-17-12)11-3-1-2-8-15-11/h4-7,11,15H,1-3,8H2
InChi Info:
AuxInfo=1/0/N:14,15,13,1,5,2,4,16,6,3,12,7,9,18,17,8,11,10/E:(4,5)(6,7)/rA:18cCCCCCCCNCONCCCCCNF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14FN3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.95638
Area:422.012
Solvation:-2.59393
Coulombic:-25.4391
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:247.268
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.63

Name Annotations

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Descriptor Annotations

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