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Chemical ID: 6283096
Chemical ID:
6283096
Name [?]:
3,4-dimethyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(cc1C)C(=O)Nc2nnc(o2)c3ccccc3
InChi [?]:
InChI=1/C17H15N3O2/c1-11-8-9-14(10-12(11)2)15(21)18-17-20-19-16(22-17)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,20,19,21,18,22,3,4,6,2,7,17,5,9,15,12,11,14,13,10,16/E:(4,5)(6,7)/rA:22nCCCCCCCCCONCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15N3O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.309 |
Area: | 504.223 |
Solvation: | -2.29659 |
Coulombic: | -38.6186 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 293.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.23 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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