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Chemical ID: 4471469

Chemical ID:

4471469

Name [?]:

2-[5-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine

SMILES [?]:

COc1cccc(c1OC)c2nc(no2)c3ccccn3

InChi [?]:

InChI=1/C15H13N3O3/c1-19-12-8-5-6-10(13(12)20-2)15-17-14(18-21-15)11-7-3-4-9-16-11/h3-9H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,18,19,5,6,17,4,20,7,16,3,8,13,11,21,12,14,2,9,15/rA:21nCOCCCCCCOCCNCNOCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃N₃O₃
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	6.95242
Area:	469.787
Solvation:	-4.79225
Coulombic:	-32.9682

Bond Count [?]

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

Chemical Properties

Molecular Weight:	283.282
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.5
LogP (Chemaxon):	2.66

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