3-bromo-4,5-dimethyl-1,2-oxazole

C5H6BrNO — CID 2763223

IUPAC3-bromo-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(Br)c1C
InChIInChI=1S/C5H6BrNO/c1-3-4(2)8-7-5(3)6/h1-2H3
InChIKeyDAXZHUKWIUJHGU-UHFFFAOYSA-N
MW176.01 g/mol
LogP2.05
Rot. Bonds

About 3-bromo-4,5-dimethyl-1,2-oxazole

3-bromo-4,5-dimethyl-1,2-oxazole (PubChem CID 2763223) has the molecular formula C5H6BrNO and a molecular weight of 176.01 g/mol. Its IUPAC name is 3-bromo-4,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name3-bromo-4,5-dimethyl-1,2-oxazole
PubChem CID2763223
Molecular FormulaC5H6BrNO
Molecular Weight176.01 g/mol
Exact Mass174.96
IUPAC Name3-bromo-4,5-dimethyl-1,2-oxazole
SMILESCc1onc(Br)c1C
InChIInChI=1S/C5H6BrNO/c1-3-4(2)8-7-5(3)6/h1-2H3
InChIKeyDAXZHUKWIUJHGU-UHFFFAOYSA-N
XLogP2.05
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.01
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-dimethyl-1,2-oxazole?
The IUPAC name of 3-bromo-4,5-dimethyl-1,2-oxazole (CID 2763223) is 3-bromo-4,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 3-bromo-4,5-dimethyl-1,2-oxazole?
The canonical SMILES for 3-bromo-4,5-dimethyl-1,2-oxazole is Cc1onc(Br)c1C.
What is the InChIKey of 3-bromo-4,5-dimethyl-1,2-oxazole?
The InChIKey is DAXZHUKWIUJHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO/c1-3-4(2)8-7-5(3)6/h1-2H3.
What are the key properties of 3-bromo-4,5-dimethyl-1,2-oxazole?
3-bromo-4,5-dimethyl-1,2-oxazole has a molecular weight of 176.01 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 2763223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).