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

C12H9N3O2 — CID 659608

IUPAC5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1occc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C12H9N3O2/c1-8-10(4-7-16-8)12-14-11(15-17-12)9-2-5-13-6-3-9/h2-7H,1H3
InChIKeyZEMIGSGWYISPKG-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.70
Rot. Bonds2

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

5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 659608) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID659608
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1occc1-c1nc(-c2ccncc2)no1
InChIInChI=1S/C12H9N3O2/c1-8-10(4-7-16-8)12-14-11(15-17-12)9-2-5-13-6-3-9/h2-7H,1H3
InChIKeyZEMIGSGWYISPKG-UHFFFAOYSA-N
XLogP2.70
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 659608) is 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1occc1-c1nc(-c2ccncc2)no1.
What is the InChIKey of 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is ZEMIGSGWYISPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-10(4-7-16-8)12-14-11(15-17-12)9-2-5-13-6-3-9/h2-7H,1H3.
What are the key properties of 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 227.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylfuran-3-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 659608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).