5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

C11H7N3O2 — CID 11998047

IUPAC5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3ccoc3)n2)c1
InChIInChI=1S/C11H7N3O2/c1-2-8(6-12-4-1)10-13-11(16-14-10)9-3-5-15-7-9/h1-7H
InChIKeyUAQDTDBRGYGJFK-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.39
Rot. Bonds2

About 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 11998047) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID11998047
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESc1cncc(-c2noc(-c3ccoc3)n2)c1
InChIInChI=1S/C11H7N3O2/c1-2-8(6-12-4-1)10-13-11(16-14-10)9-3-5-15-7-9/h1-7H
InChIKeyUAQDTDBRGYGJFK-UHFFFAOYSA-N
XLogP2.39
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 11998047) is 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is c1cncc(-c2noc(-c3ccoc3)n2)c1.
What is the InChIKey of 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is UAQDTDBRGYGJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c1-2-8(6-12-4-1)10-13-11(16-14-10)9-3-5-15-7-9/h1-7H.
What are the key properties of 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 213.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 11998047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).