ChemDB: Chemical Search
Download
Chemical ID: 5997005
Chemical ID:
5997005
Name [?]:
N-butyl-2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-pyrrolidine-1-carboxamide
SMILES [?]:
CCCCNC(=O)N1CCCC1c2nc(no2)c3ccc(cc3)C
InChi [?]:
InChI=1/C18H24N4O2/c1-3-4-11-19-18(23)22-12-5-6-15(22)17-20-16(21-24-17)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,10,11,20,22,19,23,4,9,21,18,12,15,13,6,5,14,16,8,7,17/E:(7,8)(9,10)/rA:24cCCCCNCONCCCCCNCNOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N4O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.668 |
Area: | 569.204 |
Solvation: | -2.56205 |
Coulombic: | -44.3043 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 328.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.41 |
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 |
---|