Chemical ID: 4796659

CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccccc3
Chemical ID:
4796659
Name [?]:
N-phenyl-3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nc(on2)CCC(=O)Nc3ccccc3
InChi [?]:
InChI=1/C21H23N3O2/c1-21(2,3)16-11-9-15(10-12-16)20-23-19(26-24-20)14-13-18(25)22-17-7-5-4-6-8-17/h4-12H,13-14H2,1-3H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,22,26,7,9,6,10,17,16,8,5,21,18,13,11,2,20,12,15,19,14/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCCCNCONCCCONCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2191
Area:595.952
Solvation:-2.67976
Coulombic:-33.5959
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.426
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.93
LogP (Chemaxon):5.02

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Descriptor Annotations

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