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Chemical ID: 5988616
Chemical ID:
5988616
Name [?]:
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]heptan-1-one
SMILES [?]:
CCCCCCC(=O)N1CCCCC1c2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C20H27N3O2/c1-2-3-4-8-14-18(24)23-15-10-9-13-17(23)20-21-19(22-25-20)16-11-6-5-7-12-16/h5-7,11-12,17H,2-4,8-10,13-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,23,22,24,5,12,11,21,25,13,6,10,20,14,7,17,15,16,18,9,8,19/E:(6,7)(11,12)/rA:25cCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6735 |
Area: | 579.774 |
Solvation: | -2.82088 |
Coulombic: | -30.2863 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 341.447 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.2 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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