ChemDB: Chemical Search
Download
Chemical ID: 4253056
Chemical ID:
4253056
Name [?]:
N-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)CNC(C)C
InChi [?]:
InChI=1/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:16,17,1,3,7,4,6,13,15,2,5,10,8,14,9,12,11/E:(1,2)(4,5)(6,7)/rA:17nCCCCCCCCNCONCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38682 |
Area: | 442.74 |
Solvation: | -1.68168 |
Coulombic: | -22.2285 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 231.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.79 |
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 |
---|