5-bromo-4-phenyl-1,3-oxazole

C9H6BrNO — CID 560753

IUPAC5-bromo-4-phenyl-1,3-oxazole
SMILESBrc1ocnc1-c1ccccc1
InChIInChI=1S/C9H6BrNO/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyAJSYUPQDOBPXGA-UHFFFAOYSA-N
MW224.06 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-4-phenyl-1,3-oxazole

5-bromo-4-phenyl-1,3-oxazole (PubChem CID 560753) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 5-bromo-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-4-phenyl-1,3-oxazole
PubChem CID560753
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name5-bromo-4-phenyl-1,3-oxazole
SMILESBrc1ocnc1-c1ccccc1
InChIInChI=1S/C9H6BrNO/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyAJSYUPQDOBPXGA-UHFFFAOYSA-N
XLogP3.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-phenyl-1,3-oxazole?
The IUPAC name of 5-bromo-4-phenyl-1,3-oxazole (CID 560753) is 5-bromo-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-bromo-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-bromo-4-phenyl-1,3-oxazole is Brc1ocnc1-c1ccccc1.
What is the InChIKey of 5-bromo-4-phenyl-1,3-oxazole?
The InChIKey is AJSYUPQDOBPXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-9-8(11-6-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-bromo-4-phenyl-1,3-oxazole?
5-bromo-4-phenyl-1,3-oxazole has a molecular weight of 224.06 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-phenyl-1,3-oxazole is sourced from PubChem (CID 560753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).