3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride

C10H5BrClNO2 — CID 82371429

IUPAC3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C10H5BrClNO2/c11-7-3-1-2-6(4-7)8-5-9(10(12)14)15-13-8/h1-5H
InChIKeyBDOHFDRZQIARJQ-UHFFFAOYSA-N
MW286.51 g/mol
LogP3.48
Rot. Bonds2

About 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride

3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride (PubChem CID 82371429) has the molecular formula C10H5BrClNO2 and a molecular weight of 286.51 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride.

Molecular Properties

Compound Name3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
PubChem CID82371429
Molecular FormulaC10H5BrClNO2
Molecular Weight286.51 g/mol
Exact Mass284.92
IUPAC Name3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride
SMILESO=C(Cl)c1cc(-c2cccc(Br)c2)no1
InChIInChI=1S/C10H5BrClNO2/c11-7-3-1-2-6(4-7)8-5-9(10(12)14)15-13-8/h1-5H
InChIKeyBDOHFDRZQIARJQ-UHFFFAOYSA-N
XLogP3.48
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylphenyl)-1,2-oxazole-5-carbonyl chloride
CID 82371280
3-(3-bromophenyl)-N-[(2R)-1-(ethylamino)-1-oxobutan-2-yl]-1,2-oxazole-5-carboxamide
CID 167980380
3-pyridin-2-yl-1,2-oxazole-5-carbonyl chloride
CID 82371405
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
3-[3-(difluoromethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115527352
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371348
3-[3-(2-hydroxypropan-2-yl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112539
6-(3-bromophenyl)pyridine-2-carboxylic acid
CID 82378732
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 11696940
3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,2-oxazole-5-carbonyl chloride
CID 82371328
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]-3-chlorothiophene-2-carboxamide
CID 91218948
bis[3-(3-bromophenyl)phenyl]methanone;methane
CID 158177415

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride?
The IUPAC name of 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride (CID 82371429) is 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride.
What is the SMILES notation for 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride?
The canonical SMILES for 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride is O=C(Cl)c1cc(-c2cccc(Br)c2)no1.
What is the InChIKey of 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride?
The InChIKey is BDOHFDRZQIARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO2/c11-7-3-1-2-6(4-7)8-5-9(10(12)14)15-13-8/h1-5H.
What are the key properties of 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride?
3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride has a molecular weight of 286.51 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1,2-oxazole-5-carbonyl chloride is sourced from PubChem (CID 82371429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).