Chemical ID: 4806964

COc1ccc(cc1)c2nc(on2)c3ccccc3C(=O)NC4CCCCC4
Chemical ID:
4806964
Name [?]:
N-cyclohexyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nc(on2)c3ccccc3C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C22H23N3O3/c1-27-17-13-11-15(12-14-17)20-24-22(28-25-20)19-10-6-5-9-18(19)21(26)23-16-7-3-2-4-8-16/h5-6,9-14,16H,2-4,7-8H2,1H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,17,16,24,28,18,15,5,7,4,8,6,23,3,19,14,9,20,11,22,10,13,21,2,12/E:(3,4)(7,8)(11,12)(13,14)/rA:28nCOCCCCCCCNCONCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;d15;s16;d17;d14s18;s19;d20;s20;s22;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1251
Area:601.881
Solvation:-3.92188
Coulombic:-43.0369
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.25
LogP (Chemaxon):4.31

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Descriptor Annotations

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