ChemDB: Chemical Search
Download
Chemical ID: 5988068
Chemical ID:
5988068
Name [?]:
1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-3-phenyl-prop-2-en-1-one
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)C=Cc4ccccc4
InChi [?]:
InChI=1/C23H23N3O2/c1-17-7-5-10-19(15-17)22-24-23(28-25-22)20-11-6-14-26(16-20)21(27)13-12-18-8-3-2-4-9-18/h2-5,7-10,12-13,15,20H,6,11,14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,4,15,3,24,28,5,14,22,21,16,7,18,2,23,6,13,19,8,10,9,12,17,20,11/E:(3,4)(8,9)/rA:28cCCCCCCCCNCONCCCCNCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;w21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1886 |
Area: | 604.545 |
Solvation: | -2.92505 |
Coulombic: | -31.2162 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.448 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.68 |
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 |
---|