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Chemical ID: 4796659
Chemical ID:
4796659
Name [?]:
N-phenyl-3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H23N3O2/c1-21(2,3)16-11-9-15(10-12-16)20-23-19(26-24-20)14-13-18(25)22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,22,26,7,9,6,10,17,16,8,5,21,18,13,11,2,20,12,15,19,14/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCCCNCONCCCONCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d11s14;s13;s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2191 |
Area: | 595.952 |
Solvation: | -2.67976 |
Coulombic: | -33.5959 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 349.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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