2-(3-bromophenyl)-5H-1,2-oxazole

C9H8BrNO — CID 173166082

IUPAC2-(3-bromophenyl)-5H-1,2-oxazole
SMILESBrc1cccc(N2C=CCO2)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-4-9(7-8)11-5-2-6-12-11/h1-5,7H,6H2
InChIKeyOXZOMSPOXAVYCN-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.71
Rot. Bonds1

About 2-(3-bromophenyl)-5H-1,2-oxazole

2-(3-bromophenyl)-5H-1,2-oxazole (PubChem CID 173166082) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5H-1,2-oxazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5H-1,2-oxazole
PubChem CID173166082
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name2-(3-bromophenyl)-5H-1,2-oxazole
SMILESBrc1cccc(N2C=CCO2)c1
InChIInChI=1S/C9H8BrNO/c10-8-3-1-4-9(7-8)11-5-2-6-12-11/h1-5,7H,6H2
InChIKeyOXZOMSPOXAVYCN-UHFFFAOYSA-N
XLogP2.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5H-1,2-oxazole?
The IUPAC name of 2-(3-bromophenyl)-5H-1,2-oxazole (CID 173166082) is 2-(3-bromophenyl)-5H-1,2-oxazole.
What is the SMILES notation for 2-(3-bromophenyl)-5H-1,2-oxazole?
The canonical SMILES for 2-(3-bromophenyl)-5H-1,2-oxazole is Brc1cccc(N2C=CCO2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5H-1,2-oxazole?
The InChIKey is OXZOMSPOXAVYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-3-1-4-9(7-8)11-5-2-6-12-11/h1-5,7H,6H2.
What are the key properties of 2-(3-bromophenyl)-5H-1,2-oxazole?
2-(3-bromophenyl)-5H-1,2-oxazole has a molecular weight of 226.07 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5H-1,2-oxazole is sourced from PubChem (CID 173166082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).