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Chemical ID: 5989440
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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