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Chemical ID: 5988849
Chemical ID:
5988849
Name [?]:
cyclopentyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCCC4
InChi [?]:
InChI=1/C20H25N3O3/c1-25-16-10-6-9-15(13-16)18-21-19(26-22-18)17-11-4-5-12-23(17)20(24)14-7-2-3-8-14/h6,9-10,13-14,17H,2-5,7-8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,16,17,5,23,26,6,4,15,18,8,22,7,3,14,9,11,20,10,13,19,21,2,12/E:(2,3)(7,8)/rA:26cCOCCCCCCCNCONCCCCCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s19;d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.74459 |
Area: | 554.821 |
Solvation: | -4.12594 |
Coulombic: | -35.9079 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.431 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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