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

C4H4BrNO2 — CID 117190136

IUPAC5-bromo-2-methoxy-1,3-oxazole
SMILESCOc1ncc(Br)o1
InChIInChI=1S/C4H4BrNO2/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKeyYGAMQABWCCSSTK-UHFFFAOYSA-N
MW177.98 g/mol
LogP1.45
Rot. Bonds1

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

5-bromo-2-methoxy-1,3-oxazole (PubChem CID 117190136) has the molecular formula C4H4BrNO2 and a molecular weight of 177.98 g/mol. Its IUPAC name is 5-bromo-2-methoxy-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-methoxy-1,3-oxazole
PubChem CID117190136
Molecular FormulaC4H4BrNO2
Molecular Weight177.98 g/mol
Exact Mass176.94
IUPAC Name5-bromo-2-methoxy-1,3-oxazole
SMILESCOc1ncc(Br)o1
InChIInChI=1S/C4H4BrNO2/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKeyYGAMQABWCCSSTK-UHFFFAOYSA-N
XLogP1.45
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.98
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-1,3-oxazole?
The IUPAC name of 5-bromo-2-methoxy-1,3-oxazole (CID 117190136) is 5-bromo-2-methoxy-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-methoxy-1,3-oxazole?
The canonical SMILES for 5-bromo-2-methoxy-1,3-oxazole is COc1ncc(Br)o1.
What is the InChIKey of 5-bromo-2-methoxy-1,3-oxazole?
The InChIKey is YGAMQABWCCSSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNO2/c1-7-4-6-2-3(5)8-4/h2H,1H3.
What are the key properties of 5-bromo-2-methoxy-1,3-oxazole?
5-bromo-2-methoxy-1,3-oxazole has a molecular weight of 177.98 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-1,3-oxazole is sourced from PubChem (CID 117190136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).