2-bromo-4-ethyl-1,3-oxazole

C5H6BrNO — CID 112756757

IUPAC2-bromo-4-ethyl-1,3-oxazole
SMILESCCc1coc(Br)n1
InChIInChI=1S/C5H6BrNO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeySJMPARYLBJMBSD-UHFFFAOYSA-N
MW176.01 g/mol
LogP2.00
Rot. Bonds1

About 2-bromo-4-ethyl-1,3-oxazole

2-bromo-4-ethyl-1,3-oxazole (PubChem CID 112756757) has the molecular formula C5H6BrNO and a molecular weight of 176.01 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-ethyl-1,3-oxazole
PubChem CID112756757
Molecular FormulaC5H6BrNO
Molecular Weight176.01 g/mol
Exact Mass174.96
IUPAC Name2-bromo-4-ethyl-1,3-oxazole
SMILESCCc1coc(Br)n1
InChIInChI=1S/C5H6BrNO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeySJMPARYLBJMBSD-UHFFFAOYSA-N
XLogP2.00
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1,3-oxazole?
The IUPAC name of 2-bromo-4-ethyl-1,3-oxazole (CID 112756757) is 2-bromo-4-ethyl-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-ethyl-1,3-oxazole?
The canonical SMILES for 2-bromo-4-ethyl-1,3-oxazole is CCc1coc(Br)n1.
What is the InChIKey of 2-bromo-4-ethyl-1,3-oxazole?
The InChIKey is SJMPARYLBJMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-1,3-oxazole?
2-bromo-4-ethyl-1,3-oxazole has a molecular weight of 176.01 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1,3-oxazole is sourced from PubChem (CID 112756757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).