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Chemical ID: 6738528
Chemical ID:
6738528
Name [?]:
N-(4-ethylphenyl)-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CCc2nc(no2)c3ccc(cc3)C
InChi [?]:
InChI=1/C20H21N3O2/c1-3-15-6-10-17(11-7-15)21-18(24)12-13-19-22-20(23-25-19)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,21,23,4,8,20,24,5,7,12,13,22,3,19,6,10,14,16,9,15,17,11,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCNCOCCCNCNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O2 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9532 |
Area: | 585.813 |
Solvation: | -2.69217 |
Coulombic: | -32.8503 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 335.4 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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