Chemical ID: 4414904

COc1ccc(cc1)c2nc(on2)CCC3CCCCC3
Chemical ID:
4414904
Name [?]:
5-(2-cyclohexylethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILES [?]:
COc1ccc(cc1)c2nc(on2)CCC3CCCCC3
InChi [?]:
InChI=1/C17H22N2O2/c1-20-15-10-8-14(9-11-15)17-18-16(21-19-17)12-7-13-5-3-2-4-6-13/h8-11,13H,2-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,15,5,7,4,8,14,16,6,3,11,9,10,13,2,12/E:(3,4)(5,6)(8,9)(10,11)/rA:21nCOCCCCCCCNCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H22N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1583
Area:507.851
Solvation:-2.53798
Coulombic:-20.8311
Bond Count [?]
All:23
Single:18
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:286.369
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.57
LogP (Chemaxon):4.25

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Descriptor Annotations

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