Chemical ID: 5988359

CC(C)(C)C(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl
Chemical ID:
5988359
Name [?]:
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2,2-dimethyl-propan-1-one
SMILES [?]:
CC(C)(C)C(=O)N1CCCCC1c2nc(no2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C18H22ClN3O2/c1-18(2,3)17(23)22-10-5-4-9-14(22)16-20-15(21-24-16)12-7-6-8-13(19)11-12/h6-8,11,14H,4-5,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,10,9,20,19,21,11,8,23,18,22,12,15,13,5,2,24,14,16,7,6,17/E:(1,2,3)/rA:24cCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:10.661
Area:533.444
Solvation:-2.67509
Coulombic:-30.0305
Bond Count [?]
All:26
Single:20
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.839
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.04
LogP (Chemaxon):4.53

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Descriptor Annotations

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