Chemical ID: 5988509

CC(C)C(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)Cl
Chemical ID:
5988509
Name [?]:
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-methyl-propan-1-one
SMILES [?]:
CC(C)C(=O)N1CCC(CC1)c2nc(no2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H20ClN3O2/c1-11(2)17(22)21-9-7-13(8-10-21)16-19-15(20-23-16)12-3-5-14(18)6-4-12/h3-6,11,13H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,18,22,19,21,8,10,7,11,2,17,9,20,14,12,4,23,13,15,6,5,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s6s10;s9;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClN3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.016
Area:546.24
Solvation:-2.64001
Coulombic:-28.9652
Bond Count [?]
All:25
Single:19
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.812
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):3.45

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