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Chemical ID: 5988079
Chemical ID:
5988079
Name [?]:
(4-chlorophenyl)-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClN3O2/c1-14-5-4-6-16(13-14)19-23-20(27-24-19)18-7-2-3-12-25(18)21(26)15-8-10-17(22)11-9-15/h4-6,8-11,13,18H,2-3,7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,4,3,5,14,22,26,23,25,17,7,2,21,6,24,13,8,10,19,27,9,12,18,20,11/E:(8,9)(10,11)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7105 |
Area: | 585.398 |
Solvation: | -2.92441 |
Coulombic: | -31.864 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 381.855 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.44 |
LogP (Chemaxon): | 4.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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