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Chemical ID: 5988102

Chemical ID:

5988102

Name [?]:

cyclobutyl-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone

SMILES [?]:

Cc1cccc(c1)c2nc(on2)C3CCCCN3C(=O)C4CCC4

InChi [?]:

InChI=1/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3

InChi Info:

AuxInfo=1/0/N:1,15,16,4,23,3,22,24,5,14,17,7,2,21,6,13,8,10,19,9,12,18,20,11/E:(7,8)/rA:24cCCCCCCCCNCONCCCCCNCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s21s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃N₃O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	10.3053
Area:	522.222
Solvation:	-2.75024
Coulombic:	-29.4481

Bond Count [?]

All:	27
Single:	21
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	325.405
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.88
LogP (Chemaxon):	3.7

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value