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Chemical ID: 5987940
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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Experimental Annotations
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Descriptor Annotations
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