5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole

C13H11N3O3 — CID 852903

IUPAC5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C13H11N3O3/c1-8-5-6-9(12(14-8)17-2)11-15-13(19-16-11)10-4-3-7-18-10/h3-7H,1-2H3
InChIKeyCWWOHKJSFMAKHS-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.71
Rot. Bonds3

About 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 852903) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID852903
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1nc(C)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C13H11N3O3/c1-8-5-6-9(12(14-8)17-2)11-15-13(19-16-11)10-4-3-7-18-10/h3-7H,1-2H3
InChIKeyCWWOHKJSFMAKHS-UHFFFAOYSA-N
XLogP2.71
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 852903) is 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is COc1nc(C)ccc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is CWWOHKJSFMAKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-5-6-9(12(14-8)17-2)11-15-13(19-16-11)10-4-3-7-18-10/h3-7H,1-2H3.
What are the key properties of 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 257.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(2-methoxy-6-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 852903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).