2-(4-bromophenyl)-1,3-benzoxazole

C13H8BrNO — CID 12846715

IUPAC2-(4-bromophenyl)-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyRBVHJNZMSBQFDK-UHFFFAOYSA-N
MW274.12 g/mol
LogP4.26
Rot. Bonds1

About 2-(4-bromophenyl)-1,3-benzoxazole

2-(4-bromophenyl)-1,3-benzoxazole (PubChem CID 12846715) has the molecular formula C13H8BrNO and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,3-benzoxazole
PubChem CID12846715
Molecular FormulaC13H8BrNO
Molecular Weight274.12 g/mol
Exact Mass272.98
IUPAC Name2-(4-bromophenyl)-1,3-benzoxazole
SMILESBrc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyRBVHJNZMSBQFDK-UHFFFAOYSA-N
XLogP4.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-bromophenyl)-1,3-benzoxazole (CID 12846715) is 2-(4-bromophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-bromophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-bromophenyl)-1,3-benzoxazole is Brc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1,3-benzoxazole?
The InChIKey is RBVHJNZMSBQFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H.
What are the key properties of 2-(4-bromophenyl)-1,3-benzoxazole?
2-(4-bromophenyl)-1,3-benzoxazole has a molecular weight of 274.12 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,3-benzoxazole is sourced from PubChem (CID 12846715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).