Chemical ID: 5989440

c1ccc(cc1)NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F
Chemical ID:
5989440
Name [?]:
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenyl-piperidine-1-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)N2CCCC(C2)c3nc(no3)c4ccc(cc4)F
InChi [?]:
InChI=1/C20H19FN4O2/c21-16-10-8-14(9-11-16)18-23-19(27-24-18)15-5-4-12-25(13-15)20(26)22-17-6-2-1-3-7-17/h1-3,6-11,15H,4-5,12-13H2,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,22,26,23,25,11,15,21,14,24,4,18,16,8,27,7,17,19,10,9,20/E:(2,3)(6,7)(8,9)(10,11)/rA:27cCCCCCCNCONCCCCCCNCNOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;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:C20H19FN4O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.0317
Area:578.77
Solvation:-3.43751
Coulombic:-47.0017
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.389
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.6
LogP (Chemaxon):4.16

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Descriptor Annotations

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