Chemical ID: 5192977

COc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4OC
Chemical ID:
5192977
Name [?]:
(2-methoxyphenyl)-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
COc1ccc(cc1)c2nc(on2)C3CCCN(C3)C(=O)c4ccccc4OC
InChi [?]:
InChI=1/C22H23N3O4/c1-27-17-11-9-15(10-12-17)20-23-21(29-24-20)16-6-5-13-25(14-16)22(26)18-7-3-4-8-19(18)28-2/h3-4,7-12,16H,5-6,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,24,25,16,15,23,26,5,7,4,8,17,19,6,14,3,22,27,9,11,20,10,13,18,21,2,28,12/E:(9,10)(11,12)/rA:29cCOCCCCCCCNCONCCCCNCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d9s12;s11;s14;s15;s16;s17;s14s18;s18;d20;s20;s22;d23;s24;d25;d22s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.84206
Area:617.873
Solvation:-5.60476
Coulombic:-43.9733
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.436
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.11

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