Chemical ID: 5988906

CCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)OC
Chemical ID:
5988906
Name [?]:
(4-ethylphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
CCc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C23H25N3O3/c1-3-16-7-9-18(10-8-16)23(27)26-13-11-17(12-14-26)22-24-21(25-29-22)19-5-4-6-20(15-19)28-2/h4-10,15,17H,3,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,24,23,25,4,8,5,7,13,15,12,16,27,3,14,6,22,26,19,17,9,18,20,11,10,28,21/E:(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25N3O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.9136
Area:636.052
Solvation:-3.98768
Coulombic:-37.9324
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:391.463
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.77
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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