3-(2-benzofuran-1-yl)-1,2-oxazole

C11H7NO2 — CID 174521041

IUPAC3-(2-benzofuran-1-yl)-1,2-oxazole
SMILESc1ccc2c(-c3ccon3)occ2c1
InChIInChI=1S/C11H7NO2/c1-2-4-9-8(3-1)7-13-11(9)10-5-6-14-12-10/h1-7H
InChIKeyUJHONXIDZDTPPG-UHFFFAOYSA-N
MW185.18 g/mol
LogP3.09
Rot. Bonds1

About 3-(2-benzofuran-1-yl)-1,2-oxazole

3-(2-benzofuran-1-yl)-1,2-oxazole (PubChem CID 174521041) has the molecular formula C11H7NO2 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(2-benzofuran-1-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-benzofuran-1-yl)-1,2-oxazole
PubChem CID174521041
Molecular FormulaC11H7NO2
Molecular Weight185.18 g/mol
Exact Mass185.05
IUPAC Name3-(2-benzofuran-1-yl)-1,2-oxazole
SMILESc1ccc2c(-c3ccon3)occ2c1
InChIInChI=1S/C11H7NO2/c1-2-4-9-8(3-1)7-13-11(9)10-5-6-14-12-10/h1-7H
InChIKeyUJHONXIDZDTPPG-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 3-(2-benzofuran-1-yl)-1,2-oxazole?
The IUPAC name of 3-(2-benzofuran-1-yl)-1,2-oxazole (CID 174521041) is 3-(2-benzofuran-1-yl)-1,2-oxazole.
What is the SMILES notation for 3-(2-benzofuran-1-yl)-1,2-oxazole?
The canonical SMILES for 3-(2-benzofuran-1-yl)-1,2-oxazole is c1ccc2c(-c3ccon3)occ2c1.
What is the InChIKey of 3-(2-benzofuran-1-yl)-1,2-oxazole?
The InChIKey is UJHONXIDZDTPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO2/c1-2-4-9-8(3-1)7-13-11(9)10-5-6-14-12-10/h1-7H.
What are the key properties of 3-(2-benzofuran-1-yl)-1,2-oxazole?
3-(2-benzofuran-1-yl)-1,2-oxazole 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 3-(2-benzofuran-1-yl)-1,2-oxazole is sourced from PubChem (CID 174521041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).