Chemical ID: 5988365

Cc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl
Chemical ID:
5988365
Name [?]:
[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-8-10-15(11-9-14)21(26)25-12-3-2-7-18(25)20-23-19(24-27-20)16-5-4-6-17(22)13-16/h4-6,8-11,13,18H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,23,22,24,14,3,7,4,6,11,26,2,5,21,25,15,18,16,8,27,17,19,10,9,20/E:(8,9)(10,11)/rA:27cCCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.814
Area:582.637
Solvation:-2.75196
Coulombic:-31.9856
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.855
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.44
LogP (Chemaxon):4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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