4-(4-bromophenyl)-1,2-oxazole

C9H6BrNO — CID 71373672

IUPAC4-(4-bromophenyl)-1,2-oxazole
SMILESBrc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C9H6BrNO/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H
InChIKeyMBACWFQFZUREBZ-UHFFFAOYSA-N
MW224.06 g/mol
LogP3.10
Rot. Bonds1

About 4-(4-bromophenyl)-1,2-oxazole

4-(4-bromophenyl)-1,2-oxazole (PubChem CID 71373672) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 4-(4-bromophenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-1,2-oxazole
PubChem CID71373672
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name4-(4-bromophenyl)-1,2-oxazole
SMILESBrc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C9H6BrNO/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H
InChIKeyMBACWFQFZUREBZ-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 4-(4-bromophenyl)-1,2-oxazole?
The IUPAC name of 4-(4-bromophenyl)-1,2-oxazole (CID 71373672) is 4-(4-bromophenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-bromophenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-bromophenyl)-1,2-oxazole is Brc1ccc(-c2cnoc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-1,2-oxazole?
The InChIKey is MBACWFQFZUREBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-9-3-1-7(2-4-9)8-5-11-12-6-8/h1-6H.
What are the key properties of 4-(4-bromophenyl)-1,2-oxazole?
4-(4-bromophenyl)-1,2-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 4-(4-bromophenyl)-1,2-oxazole is sourced from PubChem (CID 71373672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).