5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole

C13H6Br2ClNO — CID 169336838

IUPAC5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(Br)cc1-c1nc2cc(Br)ccc2o1
InChIInChI=1S/C13H6Br2ClNO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H
InChIKeyDAWJUEMWOIISSD-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.67
Rot. Bonds1

About 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole

5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole (PubChem CID 169336838) has the molecular formula C13H6Br2ClNO and a molecular weight of 387.46 g/mol. Its IUPAC name is 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
PubChem CID169336838
Molecular FormulaC13H6Br2ClNO
Molecular Weight387.46 g/mol
Exact Mass384.85
IUPAC Name5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(Br)cc1-c1nc2cc(Br)ccc2o1
InChIInChI=1S/C13H6Br2ClNO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H
InChIKeyDAWJUEMWOIISSD-UHFFFAOYSA-N
XLogP5.67
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
5-bromo-2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23821250
5-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539410
2-(5-bromo-2-chlorophenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95911050
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 43914121
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2-chlorophenoxy)acetamide
CID 17117236
3-bromo-N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-methoxybenzamide
CID 3117294
5-bromo-2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazole
CID 169336974
2-(5-bromo-2-fluorophenyl)-5-methyl-1,3-benzoxazole
CID 69068751
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole?
The IUPAC name of 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole (CID 169336838) is 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole is Clc1ccc(Br)cc1-c1nc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole?
The InChIKey is DAWJUEMWOIISSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClNO/c14-7-1-3-10(16)9(5-7)13-17-11-6-8(15)2-4-12(11)18-13/h1-6H.
What are the key properties of 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole?
5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole has a molecular weight of 387.46 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromo-2-chlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 169336838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).