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Chemical ID: 6282746
Chemical ID:
6282746
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3OC)OC
InChi [?]:
InChI=1/C18H17N3O4/c1-11-4-6-12(7-5-11)16(22)19-18-21-20-17(25-18)14-9-8-13(23-2)10-15(14)24-3/h4-10H,1-3H3,(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,23,3,7,4,6,18,17,20,2,5,19,16,21,8,14,11,10,13,12,9,24,22,15/E:(4,5)(6,7)/rA:25nCCCCCCCCONCNNCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62136 |
Area: | 550.037 |
Solvation: | -5.12955 |
Coulombic: | -50.8481 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 339.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.62 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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