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Chemical ID: 5519666

Chemical ID:

5519666

Name [?]:

5-(4-butoxyphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

SMILES [?]:

CCCCOc1ccc(cc1)c2nc(no2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C19H20N2O3/c1-3-4-13-23-17-11-7-15(8-12-17)19-20-18(21-24-19)14-5-9-16(22-2)10-6-14/h5-12H,3-4,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,2,3,18,22,8,10,19,21,7,11,4,17,9,20,6,14,12,13,15,23,5,16/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCOCCCCCCCNCNOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4212
Area:	568.286
Solvation:	-3.78598
Coulombic:	-29.4566

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	324.374
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.28
LogP (Chemaxon):	4.78

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