ChemDB: Chemical Search
Download
Chemical ID: 5997085
Chemical ID:
5997085
Name [?]:
N-(2,3-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-pyrrolidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H24N4O3/c1-14-6-4-7-18(15(14)2)23-22(27)26-13-5-8-19(26)21-24-20(25-29-21)16-9-11-17(28-3)12-10-16/h4,6-7,9-12,19H,5,8,13H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,8,29,4,14,3,5,15,23,27,24,26,13,2,7,22,25,6,16,19,17,10,9,18,20,12,11,28,21/E:(9,10)(11,12)/rA:29cCCCCCCCCNCONCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N4O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2965 |
Area: | 617.741 |
Solvation: | -4.14702 |
Coulombic: | -50.3028 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.09 |
LogP (Chemaxon): | 3.92 |
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 |
---|