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

C7H8BrNO — CID 115022447

IUPAC2-bromo-5-cyclobutyl-1,3-oxazole
SMILESBrc1ncc(C2CCC2)o1
InChIInChI=1S/C7H8BrNO/c8-7-9-4-6(10-7)5-2-1-3-5/h4-5H,1-3H2
InChIKeyIOQLUHWCFBTWQP-UHFFFAOYSA-N
MW202.05 g/mol
LogP2.70
Rot. Bonds1

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

2-bromo-5-cyclobutyl-1,3-oxazole (PubChem CID 115022447) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 2-bromo-5-cyclobutyl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-cyclobutyl-1,3-oxazole
PubChem CID115022447
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name2-bromo-5-cyclobutyl-1,3-oxazole
SMILESBrc1ncc(C2CCC2)o1
InChIInChI=1S/C7H8BrNO/c8-7-9-4-6(10-7)5-2-1-3-5/h4-5H,1-3H2
InChIKeyIOQLUHWCFBTWQP-UHFFFAOYSA-N
XLogP2.70
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-cyclobutyl-1,3-oxazole?
The IUPAC name of 2-bromo-5-cyclobutyl-1,3-oxazole (CID 115022447) is 2-bromo-5-cyclobutyl-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-cyclobutyl-1,3-oxazole?
The canonical SMILES for 2-bromo-5-cyclobutyl-1,3-oxazole is Brc1ncc(C2CCC2)o1.
What is the InChIKey of 2-bromo-5-cyclobutyl-1,3-oxazole?
The InChIKey is IOQLUHWCFBTWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c8-7-9-4-6(10-7)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 2-bromo-5-cyclobutyl-1,3-oxazole?
2-bromo-5-cyclobutyl-1,3-oxazole has a molecular weight of 202.05 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-cyclobutyl-1,3-oxazole is sourced from PubChem (CID 115022447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).