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Chemical ID: 5988583
Chemical ID:
5988583
Name [?]:
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCCC1c2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C18H23N3O2/c1-2-3-12-16(22)21-13-8-7-11-15(21)18-19-17(20-23-18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,10,9,19,23,11,4,8,18,12,5,15,13,14,16,7,6,17/E:(5,6)(9,10)/rA:23cCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2923 |
Area: | 523.533 |
Solvation: | -2.79598 |
Coulombic: | -29.6824 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 313.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.06 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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