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Chemical ID: 6482708
Chemical ID:
6482708
Name [?]:
(2-aminophenyl)-[4-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)c3nc(no3)c4ccncc4)N
InChi [?]:
InChI=1/C19H19N5O2/c20-16-4-2-1-3-15(16)19(25)24-11-7-14(8-12-24)18-22-17(23-26-18)13-5-9-21-10-6-13/h1-6,9-10,14H,7-8,11-12,20H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,11,13,22,24,10,14,20,12,5,4,17,15,7,26,23,16,18,9,8,19/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCONCCCCCCNCNOCCCNCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N5O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4669 |
Area: | 558.699 |
Solvation: | -3.50057 |
Coulombic: | -49.9763 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 349.387 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.31 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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