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Chemical ID: 5988786
Chemical ID:
5988786
Name [?]:
1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3,3-dimethyl-butan-1-one
SMILES [?]:
CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C20H27N3O3/c1-20(2,3)12-17(24)23-10-6-8-15(13-23)19-21-18(22-26-19)14-7-5-9-16(11-14)25-4/h5,7,9,11,15H,6,8,10,12-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,26,21,10,20,11,22,9,24,5,13,19,12,23,6,16,14,2,15,17,8,7,25,18/E:(1,2,3)/rA:26cCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s12;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.8972 |
Area: | 585.238 |
Solvation: | -3.73378 |
Coulombic: | -35.6874 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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