Chemical ID: 5192944

COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4
Chemical ID:
5192944
Name [?]:
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C21H21N3O3/c1-26-18-11-5-9-16(13-18)19-22-20(27-23-19)17-10-6-12-24(14-17)21(25)15-7-3-2-4-8-15/h2-5,7-9,11,13,17H,6,10,12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,5,16,23,27,6,15,4,17,8,19,22,7,14,3,9,11,20,10,13,18,21,2,12/E:(3,4)(7,8)/rA:27cCOCCCCCCCNCONCCCCNCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3O3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.924
Area:587.473
Solvation:-3.76287
Coulombic:-38.2004
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):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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