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Chemical ID: 6510597

Chemical ID:

6510597

Name [?]:

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

SMILES [?]:

COc1cccc(c1)c2nnc(o2)c3cccc(c3)OC

InChi [?]:

InChI=1/C16H14N2O3/c1-19-13-7-3-5-11(9-13)15-17-18-16(21-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,21,5,16,6,15,4,17,8,19,7,14,3,18,9,12,10,11,2,20,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:21nCOCCCCCCCNNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.38118
Area:	488.196
Solvation:	-3.82372
Coulombic:	-30.2497

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	282.294
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.67
LogP (Chemaxon):	2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value