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Chemical ID: 5988165

Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCC4CCCC4

Chemical ID:

5988165

Name [?]:

3-cyclopentyl-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-propan-1-one

SMILES [?]:

Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)CCC4CCCC4

InChi [?]:

InChI=1/C22H29N3O2/c1-16-9-12-18(13-10-16)21-23-22(27-24-21)19-8-4-5-15-25(19)20(26)14-11-17-6-2-3-7-17/h9-10,12-13,17,19H,2-8,11,14-15H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,26,15,16,24,27,14,3,7,22,4,6,21,17,2,23,5,13,19,8,10,9,12,18,20,11/E:(2,3)(6,7)(9,10)(12,13)/rA:27cCCCCCCCCNCONCCCCCNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;s24;s25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₉N₃O₂
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	1

ZAP Information [?]

Total:	12.0982
Area:	596.836
Solvation:	-2.82273
Coulombic:	-29.8677

Bond Count [?]

All:	30
Single:	24
Double:	6
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	367.485
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.8
LogP (Chemaxon):	4.66

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value