5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole

C8H6BrNOS — CID 117258871

IUPAC5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Br)o2)s1
InChIInChI=1S/C8H6BrNOS/c1-5-2-3-6(12-5)8-10-4-7(9)11-8/h2-4H,1H3
InChIKeyKPOXLOZGHGABHK-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole

5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole (PubChem CID 117258871) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole
PubChem CID117258871
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(Br)o2)s1
InChIInChI=1S/C8H6BrNOS/c1-5-2-3-6(12-5)8-10-4-7(9)11-8/h2-4H,1H3
InChIKeyKPOXLOZGHGABHK-UHFFFAOYSA-N
XLogP3.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylthiophen-2-yl)-1,3-oxazole-5-carbaldehyde
CID 115086456
2-bromo-5-(5-methylthiophen-2-yl)-1,3-oxazole
CID 117259565
5-bromo-2-(2-methylphenyl)-1,3-oxazole
CID 73014198
5-(5-methylthiophen-2-yl)-2-phenyl-1,3-oxazole
CID 14424350
2-chloro-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 114770890
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
2,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyrazine
CID 22960139
[4-bromo-5-(5-methylthiophen-2-yl)thiophen-2-yl]-trimethylsilane
CID 159208132
1-[2-(5-bromothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115086566
5-chloro-2-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 117258864
5-bromo-2-pyrimidin-5-yl-1,3-oxazole
CID 130055340
2-(4-bromophenyl)-5-(5-methylthiophen-2-yl)-1,3-thiazole
CID 14424310

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The IUPAC name of 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole (CID 117258871) is 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The canonical SMILES for 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole is Cc1ccc(-c2ncc(Br)o2)s1.
What is the InChIKey of 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole?
The InChIKey is KPOXLOZGHGABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c1-5-2-3-6(12-5)8-10-4-7(9)11-8/h2-4H,1H3.
What are the key properties of 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole?
5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole has a molecular weight of 244.11 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methylthiophen-2-yl)-1,3-oxazole is sourced from PubChem (CID 117258871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).