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

C8H10BrNO2 — CID 130891488

IUPAC3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole
SMILESBrc1cc(COC2CCC2)on1
InChIInChI=1S/C8H10BrNO2/c9-8-4-7(12-10-8)5-11-6-2-1-3-6/h4,6H,1-3,5H2
InChIKeyFKTPKGSWPWVJQK-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.51
Rot. Bonds3

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

3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole (PubChem CID 130891488) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole
PubChem CID130891488
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole
SMILESBrc1cc(COC2CCC2)on1
InChIInChI=1S/C8H10BrNO2/c9-8-4-7(12-10-8)5-11-6-2-1-3-6/h4,6H,1-3,5H2
InChIKeyFKTPKGSWPWVJQK-UHFFFAOYSA-N
XLogP2.51
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole?
The IUPAC name of 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole (CID 130891488) is 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole?
The canonical SMILES for 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole is Brc1cc(COC2CCC2)on1.
What is the InChIKey of 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole?
The InChIKey is FKTPKGSWPWVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c9-8-4-7(12-10-8)5-11-6-2-1-3-6/h4,6H,1-3,5H2.
What are the key properties of 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole?
3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole has a molecular weight of 232.08 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole is sourced from PubChem (CID 130891488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).