2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone

C15H9BrClNO2 — CID 107989036

IUPAC2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H9BrClNO2/c16-10-7-9(5-6-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7H,8H2
InChIKeyWXJNFTCUHDOVQS-UHFFFAOYSA-N
MW350.60 g/mol
LogP4.67
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone

2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone (PubChem CID 107989036) has the molecular formula C15H9BrClNO2 and a molecular weight of 350.60 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
PubChem CID107989036
Molecular FormulaC15H9BrClNO2
Molecular Weight350.60 g/mol
Exact Mass348.95
IUPAC Name2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2o1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H9BrClNO2/c16-10-7-9(5-6-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7H,8H2
InChIKeyWXJNFTCUHDOVQS-UHFFFAOYSA-N
XLogP4.67
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 81472639
2-(1,3-benzoxazol-2-yl)-1-(3,5-dimethylphenyl)ethanone
CID 43118378
2-(1,3-benzoxazol-2-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 62919555
1-(3-bromo-4-chlorophenyl)-2-(2-fluorophenyl)ethanone
CID 115565954
sodium 2-(1,3-benzoxazol-2-yl)acetate
CID 75531246
2-(1,3-benzoxazol-2-yl)-N-(2-chloro-5-methylphenyl)acetamide
CID 20719453
2-(1,3-benzoxazol-2-yl)-1-(2,4,6-trifluorophenyl)ethanone
CID 65099002
1-(3-bromo-4-chlorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 115565854
[[1-amino-2-(1,3-benzoxazol-2-yl)ethylidene]amino] 3,5-dichlorobenzoate
CID 174229934
1-(1,3-benzoxazol-2-yl)-5-methylhexan-2-one
CID 28934808
1-(3-bromo-4-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanone
CID 113336903
1-(3-bromo-4-chlorophenyl)-3-chloropropan-1-one
CID 82124279

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone (CID 107989036) is 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone is O=C(Cc1nc2ccccc2o1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone?
The InChIKey is WXJNFTCUHDOVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClNO2/c16-10-7-9(5-6-11(10)17)13(19)8-15-18-12-3-1-2-4-14(12)20-15/h1-7H,8H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone?
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone has a molecular weight of 350.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-chlorophenyl)ethanone is sourced from PubChem (CID 107989036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).