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Chemical ID: 6282717
Chemical ID:
6282717
Name [?]:
2-methoxy-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C17H15N3O4/c1-22-12-9-7-11(8-10-12)16-19-20-17(24-16)18-15(21)13-5-3-4-6-14(13)23-2/h3-10H,1-2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,24,19,20,18,21,5,7,4,8,6,3,17,22,15,9,12,14,10,11,16,2,23,13/E:(7,8)(9,10)/rA:24nCOCCCCCCCNNCONCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49817 |
Area: | 531.447 |
Solvation: | -5.78801 |
Coulombic: | -50.2255 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 325.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.18 |
LogP (Chemaxon): | 2.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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