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Chemical ID: 6283128
Chemical ID:
6283128
Name [?]:
2-methyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nnc(o2)c3ccccc3
InChi [?]:
InChI=1/C16H13N3O2/c1-11-7-5-6-10-13(11)14(20)17-16-19-18-15(21-16)12-8-3-2-4-9-12/h2-10H,1H3,(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,4,5,3,17,21,6,2,16,7,8,14,11,10,13,12,9,15/E:(3,4)(8,9)/rA:21nCCCCCCCCONCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66812 |
Area: | 474.285 |
Solvation: | -2.189 |
Coulombic: | -39.0351 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 279.293 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.79 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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