5-bromo-2-methylsulfanyl-1,3-oxazole

C4H4BrNOS — CID 117190138

IUPAC5-bromo-2-methylsulfanyl-1,3-oxazole
SMILESCSc1ncc(Br)o1
InChIInChI=1S/C4H4BrNOS/c1-8-4-6-2-3(5)7-4/h2H,1H3
InChIKeyOHKBKBNRUXCXPP-UHFFFAOYSA-N
MW194.05 g/mol
LogP2.16
Rot. Bonds1

About 5-bromo-2-methylsulfanyl-1,3-oxazole

5-bromo-2-methylsulfanyl-1,3-oxazole (PubChem CID 117190138) has the molecular formula C4H4BrNOS and a molecular weight of 194.05 g/mol. Its IUPAC name is 5-bromo-2-methylsulfanyl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-methylsulfanyl-1,3-oxazole
PubChem CID117190138
Molecular FormulaC4H4BrNOS
Molecular Weight194.05 g/mol
Exact Mass192.92
IUPAC Name5-bromo-2-methylsulfanyl-1,3-oxazole
SMILESCSc1ncc(Br)o1
InChIInChI=1S/C4H4BrNOS/c1-8-4-6-2-3(5)7-4/h2H,1H3
InChIKeyOHKBKBNRUXCXPP-UHFFFAOYSA-N
XLogP2.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.05
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-methylsulfanyl-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylsulfanyl-1,3-oxazole?
The IUPAC name of 5-bromo-2-methylsulfanyl-1,3-oxazole (CID 117190138) is 5-bromo-2-methylsulfanyl-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-methylsulfanyl-1,3-oxazole?
The canonical SMILES for 5-bromo-2-methylsulfanyl-1,3-oxazole is CSc1ncc(Br)o1.
What is the InChIKey of 5-bromo-2-methylsulfanyl-1,3-oxazole?
The InChIKey is OHKBKBNRUXCXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNOS/c1-8-4-6-2-3(5)7-4/h2H,1H3.
What are the key properties of 5-bromo-2-methylsulfanyl-1,3-oxazole?
5-bromo-2-methylsulfanyl-1,3-oxazole has a molecular weight of 194.05 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylsulfanyl-1,3-oxazole is sourced from PubChem (CID 117190138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).