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Chemical ID: 5988102
Chemical ID:
5988102
Name [?]:
cyclobutyl-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCC4
InChi [?]:
InChI=1/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,23,3,22,24,5,14,17,7,2,21,6,13,8,10,19,9,12,18,20,11/E:(7,8)/rA:24cCCCCCCCCNCONCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3053 |
Area: | 522.222 |
Solvation: | -2.75024 |
Coulombic: | -29.4481 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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