Chemical ID: 5988830

COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCCCC4
Chemical ID:
5988830
Name [?]:
cyclohexyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCCCC4
InChi [?]:
InChI=1/C21H27N3O3/c1-26-17-11-7-10-16(14-17)19-22-20(27-23-19)18-12-5-6-13-24(18)21(25)15-8-3-2-4-9-15/h7,10-11,14-15,18H,2-6,8-9,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,16,17,5,23,27,6,4,15,18,8,22,7,3,14,9,11,20,10,13,19,21,2,12/E:(3,4)(8,9)/rA:27cCOCCCCCCCNCONCCCCCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.239
Area:574.194
Solvation:-4.11581
Coulombic:-36.2356
Bond Count [?]
All:30
Single:24
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:369.457
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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