3-bromo-5-(ethoxymethyl)-1,2-oxazole

C6H8BrNO2 — CID 130652604

IUPAC3-bromo-5-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1cc(Br)no1
InChIInChI=1S/C6H8BrNO2/c1-2-9-4-5-3-6(7)8-10-5/h3H,2,4H2,1H3
InChIKeyYIPDXSJVVLKLIA-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.97
Rot. Bonds3

About 3-bromo-5-(ethoxymethyl)-1,2-oxazole

3-bromo-5-(ethoxymethyl)-1,2-oxazole (PubChem CID 130652604) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 3-bromo-5-(ethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(ethoxymethyl)-1,2-oxazole
PubChem CID130652604
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name3-bromo-5-(ethoxymethyl)-1,2-oxazole
SMILESCCOCc1cc(Br)no1
InChIInChI=1S/C6H8BrNO2/c1-2-9-4-5-3-6(7)8-10-5/h3H,2,4H2,1H3
InChIKeyYIPDXSJVVLKLIA-UHFFFAOYSA-N
XLogP1.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(ethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(ethoxymethyl)-1,2-oxazole (CID 130652604) is 3-bromo-5-(ethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(ethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(ethoxymethyl)-1,2-oxazole is CCOCc1cc(Br)no1.
What is the InChIKey of 3-bromo-5-(ethoxymethyl)-1,2-oxazole?
The InChIKey is YIPDXSJVVLKLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-2-9-4-5-3-6(7)8-10-5/h3H,2,4H2,1H3.
What are the key properties of 3-bromo-5-(ethoxymethyl)-1,2-oxazole?
3-bromo-5-(ethoxymethyl)-1,2-oxazole has a molecular weight of 206.04 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(ethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 130652604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).