5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole

C9H7BrN2O — CID 169499011

IUPAC5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(Br)cn2)on1
InChIInChI=1S/C9H7BrN2O/c1-6-4-9(13-12-6)8-3-2-7(10)5-11-8/h2-5H,1H3
InChIKeyCBULJYSJQSUVBZ-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.81
Rot. Bonds1

About 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole

5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole (PubChem CID 169499011) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
PubChem CID169499011
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole
SMILESCc1cc(-c2ccc(Br)cn2)on1
InChIInChI=1S/C9H7BrN2O/c1-6-4-9(13-12-6)8-3-2-7(10)5-11-8/h2-5H,1H3
InChIKeyCBULJYSJQSUVBZ-UHFFFAOYSA-N
XLogP2.81
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole?
The IUPAC name of 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole (CID 169499011) is 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole?
The canonical SMILES for 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole is Cc1cc(-c2ccc(Br)cn2)on1.
What is the InChIKey of 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole?
The InChIKey is CBULJYSJQSUVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-6-4-9(13-12-6)8-3-2-7(10)5-11-8/h2-5H,1H3.
What are the key properties of 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole?
5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole has a molecular weight of 239.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-pyridinyl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 169499011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).