5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid

C10H5BrClNO3 — CID 117487454

IUPAC5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Br)on1
InChIInChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-2-6(7)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyHCZIXOYBXVKPCC-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.46
Rot. Bonds2

About 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid

5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117487454) has the molecular formula C10H5BrClNO3 and a molecular weight of 302.51 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117487454
Molecular FormulaC10H5BrClNO3
Molecular Weight302.51 g/mol
Exact Mass300.91
IUPAC Name5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2Br)on1
InChIInChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-2-6(7)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyHCZIXOYBXVKPCC-UHFFFAOYSA-N
XLogP3.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(5-chloro-2-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117491916
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 18802122

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid (CID 117487454) is 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2Br)on1.
What is the InChIKey of 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is HCZIXOYBXVKPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO3/c11-7-3-5(12)1-2-6(7)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15).
What are the key properties of 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 302.51 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).