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Chemical ID: 4414904
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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