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Chemical ID: 4806613
Chemical ID:
4806613
Name [?]:
N-(4-fluorophenyl)-3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C21H22FN3O2/c1-21(2,3)15-6-4-14(5-7-15)20-24-19(27-25-20)13-12-18(26)23-17-10-8-16(22)9-11-17/h4-11H,12-13H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,23,25,22,26,17,16,8,5,24,21,18,13,11,2,27,20,12,15,19,14/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCCCCCNCONCCCONCCCCCCF/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22FN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.612 |
Area: | 603.076 |
Solvation: | -3.46489 |
Coulombic: | -36.4657 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 367.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.09 |
LogP (Chemaxon): | 5.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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