2-(furan-2-yl)-1,3-benzoxazole

C11H7NO2 — CID 938024

IUPAC2-(furan-2-yl)-1,3-benzoxazole
SMILESc1coc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C11H7NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H
InChIKeyOXQATLMDNGJNBH-UHFFFAOYSA-N
MW185.18 g/mol
LogP3.09
Rot. Bonds1

About 2-(furan-2-yl)-1,3-benzoxazole

2-(furan-2-yl)-1,3-benzoxazole (PubChem CID 938024) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 2-(furan-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1,3-benzoxazole
PubChem CID938024
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name2-(furan-2-yl)-1,3-benzoxazole
SMILESc1coc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C11H7NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H
InChIKeyOXQATLMDNGJNBH-UHFFFAOYSA-N
XLogP3.09
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-(furan-2-yl)-1,3-benzoxazole (CID 938024) is 2-(furan-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(furan-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(furan-2-yl)-1,3-benzoxazole is c1coc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-(furan-2-yl)-1,3-benzoxazole?
The InChIKey is OXQATLMDNGJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c1-2-5-9-8(4-1)12-11(14-9)10-6-3-7-13-10/h1-7H.
What are the key properties of 2-(furan-2-yl)-1,3-benzoxazole?
2-(furan-2-yl)-1,3-benzoxazole has a molecular weight of 185.18 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 938024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).