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Chemical ID: 5988832

Chemical ID:

5988832

Name [?]:

1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]hexan-1-one

SMILES [?]:

CCCCCC(=O)N1CCCCC1c2nc(no2)c3cccc(c3)OC

InChi [?]:

InChI=1/C20H27N3O3/c1-3-4-5-12-18(24)23-13-7-6-11-17(23)20-21-19(22-26-20)15-9-8-10-16(14-15)25-2/h8-10,14,17H,3-7,11-13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,2,3,4,11,10,21,20,22,12,5,9,24,19,23,13,6,16,14,15,17,8,7,25,18/rA:26cCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;s8s12;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₇N₃O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5443
Area:	589.88
Solvation:	-4.20269
Coulombic:	-35.9591

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	357.447
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.54
LogP (Chemaxon):	3.72

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

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Chemical Mix	Source	External ID	Descriptor	Value