Chemical ID: 4237155

COc1ccc(cc1)c2nc(on2)CC3CCCCC3
Chemical ID:
4237155
Name [?]:
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILES [?]:
COc1ccc(cc1)c2nc(on2)CC3CCCCC3
InChi [?]:
InChI=1/C16H20N2O2/c1-19-14-9-7-13(8-10-14)16-17-15(20-18-16)11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,20,5,7,4,8,14,15,6,3,11,9,10,13,2,12/E:(3,4)(5,6)(7,8)(9,10)/rA:20nCOCCCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.42999
Area:477.773
Solvation:-2.51434
Coulombic:-20.6039
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.342
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.0
LogP (Chemaxon):3.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue