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Chemical ID: 6437955

Chemical ID:

6437955

Name [?]:

5-ethyl-3-[4-(4-hexoxyphenyl)phenyl]-1,2,4-oxadiazole

SMILES [?]:

CCCCCCOc1ccc(cc1)c2ccc(cc2)c3nc(on3)CC

InChi [?]:

InChI=1/C22H26N2O2/c1-3-5-6-7-16-25-20-14-12-18(13-15-20)17-8-10-19(11-9-17)22-23-21(4-2)26-24-22/h8-15H,3-7,16H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,26,2,25,3,4,5,15,19,16,18,10,12,9,13,6,14,11,17,8,22,20,21,24,7,23/E:(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCOCCCCCCCCCCCCCNCONCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s22;d20s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₆N₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8572
Area:	626.119
Solvation:	-2.79574
Coulombic:	-22.6268

Bond Count [?]

All:	28
Single:	20
Double:	8
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	350.454
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	6.98
LogP (Chemaxon):	6.13

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