5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid

C13H9N3O5 — CID 63850823

IUPAC5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H9N3O5/c17-13(18)8-4-9(6-14-5-8)20-7-11-15-12(16-21-11)10-2-1-3-19-10/h1-6H,7H2,(H,17,18)
InChIKeyOLGODQBQNDBUTO-UHFFFAOYSA-N
MW287.23 g/mol
LogP2.00
Rot. Bonds5

About 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid

5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid (PubChem CID 63850823) has the molecular formula C13H9N3O5 and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid
PubChem CID63850823
Molecular FormulaC13H9N3O5
Molecular Weight287.23 g/mol
Exact Mass287.05
IUPAC Name5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(OCc2nc(-c3ccco3)no2)c1
InChIInChI=1S/C13H9N3O5/c17-13(18)8-4-9(6-14-5-8)20-7-11-15-12(16-21-11)10-2-1-3-19-10/h1-6H,7H2,(H,17,18)
InChIKeyOLGODQBQNDBUTO-UHFFFAOYSA-N
XLogP2.00
TPSA111.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(Furan-2-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 699742
3-(5-Furan-2-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 577823
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxylic acid
CID 68687376
(3-(3-(Furan-2-yl)-1,2,4-oxadiazol-5-yl)azetidin-1-yl)(2-methoxypyridin-3-yl)methanone
CID 71784460
6-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)pyridine-3-carboxylic acid
CID 137838437
2-Furyl(3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methoxy}piperidino)methanone
CID 71687040
1-(2-Furylmethyl)-3-piperidyl {[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether
CID 71687049
3-[5-({[1-(Furan-2-carbonyl)piperidin-3-YL]oxy}methyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 71687053
4-[5-({[1-(Furan-2-carbonyl)piperidin-4-YL]oxy}methyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 87053185
3-[5-({[1-(Furan-2-carbonyl)piperidin-4-YL]oxy}methyl)-1,2,4-oxadiazol-3-YL]pyridine
CID 87053195
1-[(5-Methyl-2-furyl)methyl]-4-piperidyl {[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether
CID 87053200
1-(2-Furylmethyl)-4-piperidyl {[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]methyl} ether
CID 87053202

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid (CID 63850823) is 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1cncc(OCc2nc(-c3ccco3)no2)c1.
What is the InChIKey of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is OLGODQBQNDBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O5/c17-13(18)8-4-9(6-14-5-8)20-7-11-15-12(16-21-11)10-2-1-3-19-10/h1-6H,7H2,(H,17,18).
What are the key properties of 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid?
5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 287.23 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63850823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).