Chemical ID: 5988816

CCCCC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC
Chemical ID:
5988816
Name [?]:
1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H25N3O3/c1-3-4-11-17(23)22-12-6-5-10-16(22)19-20-18(21-25-19)14-8-7-9-15(13-14)24-2/h7-9,13,16H,3-6,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,3,10,9,20,19,21,11,4,8,23,18,22,12,5,15,13,14,16,7,6,24,17/rA:25cCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:9.89964
Area:563.085
Solvation:-4.1775
Coulombic:-35.6565
Bond Count [?]
All:27
Single:21
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:343.42
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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