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Chemical ID: 7401155
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
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Experimental Annotations
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Descriptor Annotations
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