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

C12H9N3O2 — CID 863669

IUPAC2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccnc3)o2)o1
InChIInChI=1S/C12H9N3O2/c1-8-4-5-10(16-8)12-15-14-11(17-12)9-3-2-6-13-7-9/h2-7H,1H3
InChIKeyNFJAXBZNSDNSPW-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.70
Rot. Bonds2

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

2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 863669) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID863669
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3cccnc3)o2)o1
InChIInChI=1S/C12H9N3O2/c1-8-4-5-10(16-8)12-15-14-11(17-12)9-3-2-6-13-7-9/h2-7H,1H3
InChIKeyNFJAXBZNSDNSPW-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 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 863669) is 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3cccnc3)o2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is NFJAXBZNSDNSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c1-8-4-5-10(16-8)12-15-14-11(17-12)9-3-2-6-13-7-9/h2-7H,1H3.
What are the key properties of 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-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 2-(5-methylfuran-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 863669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).