Chemical ID: 5996809

CCCCCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccccc4
Chemical ID:
5996809
Name [?]:
(4-pentylphenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-methanone
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N2CCCC2c3nc(no3)c4ccccc4
InChi [?]:
InChI=1/C24H27N3O2/c1-2-3-5-9-18-13-15-20(16-14-18)24(28)27-17-8-12-21(27)23-25-22(26-29-23)19-10-6-4-7-11-19/h4,6-7,10-11,13-16,21H,2-3,5,8-9,12,17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,27,4,26,28,16,5,25,29,17,7,11,8,10,15,6,24,9,18,21,19,12,20,22,14,13,23/E:(6,7)(10,11)(13,14)(15,16)/rA:29cCCCCCCCCCCCCONCCCCCNCNOCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s14s17;s18;d19;s20;d21;s19s22;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.5612
Area:646.942
Solvation:-2.61235
Coulombic:-33.6334
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:389.49
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.63
LogP (Chemaxon):5.54

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