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Chemical ID: 7394312
Chemical ID:
7394312
Name [?]:
N-(4-acetamidophenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-propanamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC(=O)CCc2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C19H18N4O3/c1-13(24)20-15-7-9-16(10-8-15)21-17(25)11-12-18-22-19(23-26-18)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,24)(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,26,6,10,7,9,14,15,2,21,5,8,12,16,18,4,11,17,19,3,13,20/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCONCCCCCCNCOCCCNCNOCCCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N4O3 |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6218 |
Area: | 589.921 |
Solvation: | -4.12626 |
Coulombic: | -50.4175 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 350.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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