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

C10H5BrClNO3 — CID 117487455

IUPAC5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2Cl)on1
InChIInChI=1S/C10H5BrClNO3/c11-5-1-2-7(12)6(3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyYDEDATGFNDWEBP-UHFFFAOYSA-N
MW302.51 g/mol
LogP3.46
Rot. Bonds2

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

5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117487455) has the molecular formula C10H5BrClNO3 and a molecular weight of 302.51 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117487455
Molecular FormulaC10H5BrClNO3
Molecular Weight302.51 g/mol
Exact Mass300.91
IUPAC Name5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cc(Br)ccc2Cl)on1
InChIInChI=1S/C10H5BrClNO3/c11-5-1-2-7(12)6(3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15)
InChIKeyYDEDATGFNDWEBP-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-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485836
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454
5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616
5-(2-amino-5-bromo-3-pyridinyl)-1,2-oxazole-3-carboxylic acid
CID 118470114
5-(4-bromo-2,3-dihydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966377
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(5-bromo-3-tert-butyl-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998223
5-(5-bromo-2-methoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496634
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(5-bromo-4-fluoro-2-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966435

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid (CID 117487455) is 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cc(Br)ccc2Cl)on1.
What is the InChIKey of 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is YDEDATGFNDWEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClNO3/c11-5-1-2-7(12)6(3-5)9-4-8(10(14)15)13-16-9/h1-4H,(H,14,15).
What are the key properties of 5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-bromo-2-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-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117487455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).