Chemical ID: 7097827

CCC(CC)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
Chemical ID:
7097827
Name [?]:
2-ethyl-1-[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-butan-1-one
SMILES [?]:
CCC(CC)C(=O)N1CCCC(C1)c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C20H27N3O3/c1-4-14(5-2)20(24)23-11-7-9-16(13-23)19-21-18(22-26-19)15-8-6-10-17(12-15)25-3/h6,8,10,12,14,16H,4-5,7,9,11,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,26,2,4,21,10,20,11,22,9,24,13,3,19,12,23,16,14,6,15,17,8,7,25,18/E:(1,2)(4,5)/rA:26cCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s3;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:53
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.0803
Area:593.579
Solvation:-3.75919
Coulombic:-36.1801
Bond Count [?]
All:28
Single:22
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:357.447
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.83
LogP (Chemaxon):3.62

Name Annotations

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Descriptor Annotations

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