Chemical ID: 7401155

COc1ccccc1c2nc(on2)CNC(=O)c3ccccc3
Chemical ID:
7401155
Name [?]:
N-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILES [?]:
COc1ccccc1c2nc(on2)CNC(=O)c3ccccc3
InChi [?]:
InChI=1/C17H15N3O3/c1-22-14-10-6-5-9-13(14)16-19-15(23-20-16)11-18-17(21)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,6,5,19,23,7,4,14,18,8,3,11,9,16,15,10,13,17,2,12/E:(3,4)(7,8)/rA:23nCOCCCCCCCNCONCNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d9s12;s11;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O3
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.19056
Area:523.875
Solvation:-3.90633
Coulombic:-42.6852
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.319
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.19
LogP (Chemaxon):2.47

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