4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole

C13H7BrClNO — CID 58065693

IUPAC4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccccc1-c1nc2c(Br)cccc2o1
InChIInChI=1S/C13H7BrClNO/c14-9-5-3-7-11-12(9)16-13(17-11)8-4-1-2-6-10(8)15/h1-7H
InChIKeyRQLVXGPIFQAZDQ-UHFFFAOYSA-N
MW308.56 g/mol
LogP4.91
Rot. Bonds1

About 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole

4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole (PubChem CID 58065693) has the molecular formula C13H7BrClNO and a molecular weight of 308.56 g/mol. Its IUPAC name is 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
PubChem CID58065693
Molecular FormulaC13H7BrClNO
Molecular Weight308.56 g/mol
Exact Mass306.94
IUPAC Name4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccccc1-c1nc2c(Br)cccc2o1
InChIInChI=1S/C13H7BrClNO/c14-9-5-3-7-11-12(9)16-13(17-11)8-4-1-2-6-10(8)15/h1-7H
InChIKeyRQLVXGPIFQAZDQ-UHFFFAOYSA-N
XLogP4.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole?
The IUPAC name of 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole (CID 58065693) is 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole is Clc1ccccc1-c1nc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole?
The InChIKey is RQLVXGPIFQAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNO/c14-9-5-3-7-11-12(9)16-13(17-11)8-4-1-2-6-10(8)15/h1-7H.
What are the key properties of 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole?
4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole has a molecular weight of 308.56 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 58065693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).