Chemical ID: 5988583

CCCCC(=O)N1CCCCC1c2nc(no2)c3ccccc3
Chemical ID:
5988583
Name [?]:
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]pentan-1-one
SMILES [?]:
CCCCC(=O)N1CCCCC1c2nc(no2)c3ccccc3
InChi [?]:
InChI=1/C18H23N3O2/c1-2-3-12-16(22)21-13-8-7-11-15(21)18-19-17(20-23-18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,10,9,19,23,11,4,8,18,12,5,15,13,14,16,7,6,17/E:(5,6)(9,10)/rA:23cCCCCCONCCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;s7s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23N3O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:10.2923
Area:523.533
Solvation:-2.79598
Coulombic:-29.6824
Bond Count [?]
All:25
Single:19
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:313.394
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.06
LogP (Chemaxon):3.57

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Descriptor Annotations

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