2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole

C11H6FNOS — CID 175956025

IUPAC2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole
SMILESFc1ccc2cc(-c3ncco3)sc2c1
InChIInChI=1S/C11H6FNOS/c12-8-2-1-7-5-10(15-9(7)6-8)11-13-3-4-14-11/h1-6H
InChIKeyMAFSFLVYIMWKFZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.70
Rot. Bonds1

About 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole

2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole (PubChem CID 175956025) has the molecular formula C11H6FNOS and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole
PubChem CID175956025
Molecular FormulaC11H6FNOS
Molecular Weight219.24 g/mol
Exact Mass219.02
IUPAC Name2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole
SMILESFc1ccc2cc(-c3ncco3)sc2c1
InChIInChI=1S/C11H6FNOS/c12-8-2-1-7-5-10(15-9(7)6-8)11-13-3-4-14-11/h1-6H
InChIKeyMAFSFLVYIMWKFZ-UHFFFAOYSA-N
XLogP3.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole?
The IUPAC name of 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole (CID 175956025) is 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole is Fc1ccc2cc(-c3ncco3)sc2c1.
What is the InChIKey of 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole?
The InChIKey is MAFSFLVYIMWKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FNOS/c12-8-2-1-7-5-10(15-9(7)6-8)11-13-3-4-14-11/h1-6H.
What are the key properties of 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole?
2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole has a molecular weight of 219.24 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzothiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 175956025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).