Chemical ID: 4807564

Cc1ccc(c(c1)NC(=O)CCc2nc(no2)c3ccccc3OC)C
Chemical ID:
4807564
Name [?]:
N-(2,5-dimethylphenyl)-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-propanamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)CCc2nc(no2)c3ccccc3OC)C
InChi [?]:
InChI=1/C20H21N3O3/c1-13-8-9-14(2)16(12-13)21-18(24)10-11-19-22-20(23-26-19)15-6-4-5-7-17(15)25-3/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,20,21,19,22,3,4,11,12,7,2,5,18,6,23,9,13,15,8,14,16,10,24,17/rA:26nCCCCCCCNCOCCCNCNOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s24;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2728
Area:583.391
Solvation:-4.31202
Coulombic:-38.624
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:351.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.69
LogP (Chemaxon):3.43

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Descriptor Annotations

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