Chemical ID: 6738528

CCc1ccc(cc1)NC(=O)CCc2nc(no2)c3ccc(cc3)C
Chemical ID:
6738528
Name [?]:
N-(4-ethylphenyl)-3-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
CCc1ccc(cc1)NC(=O)CCc2nc(no2)c3ccc(cc3)C
InChi [?]:
InChI=1/C20H21N3O2/c1-3-15-6-10-17(11-7-15)21-18(24)12-13-19-22-20(23-25-19)16-8-4-14(2)5-9-16/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,2,21,23,4,8,20,24,5,7,12,13,22,3,19,6,10,14,16,9,15,17,11,18/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCCCCCNCOCCCNCNOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O2
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.9532
Area:585.813
Solvation:-2.69217
Coulombic:-32.8503
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.4
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.45
LogP (Chemaxon):4.73

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue