ChemDB: Chemical Search
Download
Chemical ID: 6282714
Chemical ID:
6282714
Name [?]:
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H21N3O3/c1-20(2,3)15-9-5-13(6-10-15)17(24)21-19-23-22-18(26-19)14-7-11-16(25-4)12-8-14/h5-12H,1-4H3,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,26,7,9,20,24,6,10,21,23,8,19,5,22,11,17,14,2,13,16,15,12,25,18/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCCCONCNNCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9291 |
Area: | 582.548 |
Solvation: | -3.63464 |
Coulombic: | -45.7415 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.399 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.09 |
LogP (Chemaxon): | 4.24 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|