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

C9H6BrNO — CID 53429537

IUPAC2-bromo-4-phenyl-1,3-oxazole
SMILESBrc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H6BrNO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPZEVPGXTKPDMGD-UHFFFAOYSA-N
MW224.06 g/mol
LogP3.10
Rot. Bonds1

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

2-bromo-4-phenyl-1,3-oxazole (PubChem CID 53429537) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 2-bromo-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-4-phenyl-1,3-oxazole
PubChem CID53429537
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name2-bromo-4-phenyl-1,3-oxazole
SMILESBrc1nc(-c2ccccc2)co1
InChIInChI=1S/C9H6BrNO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H
InChIKeyPZEVPGXTKPDMGD-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 2-bromo-4-phenyl-1,3-oxazole?
The IUPAC name of 2-bromo-4-phenyl-1,3-oxazole (CID 53429537) is 2-bromo-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-bromo-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-bromo-4-phenyl-1,3-oxazole is Brc1nc(-c2ccccc2)co1.
What is the InChIKey of 2-bromo-4-phenyl-1,3-oxazole?
The InChIKey is PZEVPGXTKPDMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-9-11-8(6-12-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-bromo-4-phenyl-1,3-oxazole?
2-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 2-bromo-4-phenyl-1,3-oxazole is sourced from PubChem (CID 53429537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).