Chemical ID: 5988786

CC(C)(C)CC(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
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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Descriptor Annotations

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