4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole

C14H8N2O3 — CID 102308075

IUPAC4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole
SMILESc1coc(-c2ccc(-c3ccco3)c3nonc23)c1
InChIInChI=1S/C14H8N2O3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChIKeyDTFAOJKINHJZBV-UHFFFAOYSA-N
MW252.23 g/mol
LogP3.74
Rot. Bonds2

About 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole

4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole (PubChem CID 102308075) has the molecular formula C14H8N2O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole
PubChem CID102308075
Molecular FormulaC14H8N2O3
Molecular Weight252.23 g/mol
Exact Mass252.05
IUPAC Name4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole
SMILESc1coc(-c2ccc(-c3ccco3)c3nonc23)c1
InChIInChI=1S/C14H8N2O3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H
InChIKeyDTFAOJKINHJZBV-UHFFFAOYSA-N
XLogP3.74
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole?
The IUPAC name of 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole (CID 102308075) is 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole?
The canonical SMILES for 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole is c1coc(-c2ccc(-c3ccco3)c3nonc23)c1.
What is the InChIKey of 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole?
The InChIKey is DTFAOJKINHJZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O3/c1-3-11(17-7-1)9-5-6-10(12-4-2-8-18-12)14-13(9)15-19-16-14/h1-8H.
What are the key properties of 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole?
4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole has a molecular weight of 252.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-bis(furan-2-yl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 102308075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).