Chemical ID: 5988553

Cc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccccc4
Chemical ID:
5988553
Name [?]:
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCCC(C2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O2/c1-15-9-11-17(12-10-15)21(25)24-13-5-8-18(14-24)20-22-19(23-26-20)16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,25,12,22,26,13,3,7,4,6,11,15,2,21,5,14,18,16,8,17,19,10,9,20/E:(3,4)(6,7)(9,10)(11,12)/rA:26cCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:11.9223
Area:570.756
Solvation:-2.3466
Coulombic:-31.9903
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.41
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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