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Chemical ID: 6246391
Chemical ID:
6246391
Name [?]:
4-dimethylamino-N-[5-(3-pyridyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)Nc2nnc(o2)c3cccnc3
InChi [?]:
InChI=1/C16H15N5O2/c1-21(2)13-7-5-11(6-8-13)14(22)18-16-20-19-15(23-16)12-4-3-9-17-10-12/h3-10H,1-2H3,(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,6,8,5,9,21,23,7,18,4,10,16,13,22,12,15,14,2,11,17/E:(1,2)(5,6)(7,8)/rA:23nCNCCCCCCCCONCNNCOCCCCNC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.73157 |
Area: | 525.59 |
Solvation: | -3.40817 |
Coulombic: | -46.9135 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.31 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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