Chemical ID: 5988626

COc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
Chemical ID:
5988626
Name [?]:
(4-methoxyphenyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O3/c1-26-18-9-7-17(8-10-18)21(25)24-13-11-16(12-14-24)20-22-19(23-27-20)15-5-3-2-4-6-15/h2-10,16H,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,23,27,5,7,4,8,13,15,12,16,22,14,6,3,19,17,9,18,20,11,10,2,21/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCOCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.7415
Area:586.219
Solvation:-3.914
Coulombic:-37.908
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:363.41
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.87
LogP (Chemaxon):3.22

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Descriptor Annotations

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