2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole

C11H5BrFNOS — CID 67393807

IUPAC2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole
SMILESFc1cccc2oc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C11H5BrFNOS/c12-9-5-4-8(16-9)11-14-10-6(13)2-1-3-7(10)15-11/h1-5H
InChIKeyVHJNSFWJYJEINZ-UHFFFAOYSA-N
MW298.14 g/mol
LogP4.46
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole

2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole (PubChem CID 67393807) has the molecular formula C11H5BrFNOS and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole
PubChem CID67393807
Molecular FormulaC11H5BrFNOS
Molecular Weight298.14 g/mol
Exact Mass296.93
IUPAC Name2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole
SMILESFc1cccc2oc(-c3ccc(Br)s3)nc12
InChIInChI=1S/C11H5BrFNOS/c12-9-5-4-8(16-9)11-14-10-6(13)2-1-3-7(10)15-11/h1-5H
InChIKeyVHJNSFWJYJEINZ-UHFFFAOYSA-N
XLogP4.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole (CID 67393807) is 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole is Fc1cccc2oc(-c3ccc(Br)s3)nc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole?
The InChIKey is VHJNSFWJYJEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrFNOS/c12-9-5-4-8(16-9)11-14-10-6(13)2-1-3-7(10)15-11/h1-5H.
What are the key properties of 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole?
2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole has a molecular weight of 298.14 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-fluoro-1,3-benzoxazole is sourced from PubChem (CID 67393807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).