4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole

C11H6BrNOS — CID 102974597

IUPAC4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole
SMILESBrc1nc(-c2cc3ccccc3s2)co1
InChIInChI=1S/C11H6BrNOS/c12-11-13-8(6-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H
InChIKeyZNDMUELNPLGDCY-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.32
Rot. Bonds1

About 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole

4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole (PubChem CID 102974597) has the molecular formula C11H6BrNOS and a molecular weight of 280.15 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole
PubChem CID102974597
Molecular FormulaC11H6BrNOS
Molecular Weight280.15 g/mol
Exact Mass278.94
IUPAC Name4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole
SMILESBrc1nc(-c2cc3ccccc3s2)co1
InChIInChI=1S/C11H6BrNOS/c12-11-13-8(6-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H
InChIKeyZNDMUELNPLGDCY-UHFFFAOYSA-N
XLogP4.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-2-yl)benzo[g]quinoline
CID 102420322
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
5-(1-benzothiophen-2-yl)-3-chloro-1,2,4-oxadiazole
CID 112571951
2-(1-benzothiophen-2-yl)-6-bromo-5-methylimidazo[1,2-a]pyridine
CID 114911422
4-[4,6-bis(1-benzothiophen-2-yl)pyrimidin-2-yl]morpholine
CID 71481720
2-(5-methylthiophen-2-yl)-1-benzothiophene
CID 23543358
2-(1-benzothiophen-2-yl)-6-bromo-7-methylimidazo[1,2-a]pyridine
CID 114911433
2-(1-benzothiophen-2-yl)-5-nitropyridine
CID 142834832
2-(1-benzothiophen-2-yl)-4-methylquinoline
CID 71817881
2-(1-benzothiophen-2-yl)pyrrolo[3,2-b]pyrrole-5,6-dione
CID 141406311
5-(1-benzothiophen-2-yl)-3H-1,3,4-oxadiazole-2-thione
CID 61406424

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole?
The IUPAC name of 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole (CID 102974597) is 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole is Brc1nc(-c2cc3ccccc3s2)co1.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole?
The InChIKey is ZNDMUELNPLGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrNOS/c12-11-13-8(6-14-11)10-5-7-3-1-2-4-9(7)15-10/h1-6H.
What are the key properties of 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole?
4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole has a molecular weight of 280.15 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole is sourced from PubChem (CID 102974597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).