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Chemical ID: 4807619
Chemical ID:
4807619
Name [?]:
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccccc1c2nc(no2)c3ccccc3F
InChi [?]:
InChI=1/C19H18FN3O2/c1-19(2,3)22-17(24)12-8-4-5-9-13(12)18-21-16(23-25-18)14-10-6-7-11-15(14)20/h4-11H,1-3H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,11,21,22,9,12,20,23,8,13,19,24,16,6,14,2,25,15,5,17,7,18/E:(1,2,3)/rA:25nCCCCNCOCCCCCCCNCNOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18FN3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.44339 |
Area: | 523.022 |
Solvation: | -3.63216 |
Coulombic: | -38.6912 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 339.364 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.97 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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