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Chemical ID: 6282712
Chemical ID:
6282712
Name [?]:
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nnc(o2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C17H15N3O3/c1-11-5-3-4-6-14(11)15(21)18-17-20-19-16(23-17)12-7-9-13(22-2)10-8-12/h3-10H,1-2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,4,5,3,6,17,21,18,20,2,16,19,7,8,14,11,10,13,12,9,22,15/E:(7,8)(9,10)/rA:23nCCCCCCCCONCNNCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24027 |
Area: | 512.693 |
Solvation: | -3.57706 |
Coulombic: | -45.0451 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.319 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.71 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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