Chemical ID: 6282714

CC(C)(C)c1ccc(cc1)C(=O)Nc2nnc(o2)c3ccc(cc3)OC
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

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