Chemical ID: 5988601

c1ccc(cc1)CCC(=O)N2CCCCC2c3nc(no3)c4ccccc4
Chemical ID:
5988601
Name [?]:
3-phenyl-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-piperidyl]-propan-1-one
SMILES [?]:
c1ccc(cc1)CCC(=O)N2CCCCC2c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C22H23N3O2/c26-20(15-14-17-9-3-1-4-10-17)25-16-8-7-13-19(25)22-23-21(24-27-22)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,14,13,3,5,23,27,15,7,8,12,4,22,16,9,19,17,18,20,11,10,21/E:(3,4)(5,6)(9,10)(11,12)/rA:27cCCCCCCCCCONCCCCCCNCNOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.5435
Area:584.564
Solvation:-3.07061
Coulombic:-30.8029
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:361.437
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.37
LogP (Chemaxon):4.39

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue