4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid

C10H12BrNO3 — CID 84713707

IUPAC4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(C2CCCCC2)c1Br
InChIInChI=1S/C10H12BrNO3/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h6H,1-5H2,(H,13,14)
InChIKeyQXYYQCKFHWRNRQ-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid

4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid (PubChem CID 84713707) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
PubChem CID84713707
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(C2CCCCC2)c1Br
InChIInChI=1S/C10H12BrNO3/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h6H,1-5H2,(H,13,14)
InChIKeyQXYYQCKFHWRNRQ-UHFFFAOYSA-N
XLogP3.18
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-cyclopropyl-1,2-oxazole-5-carboxylic acid
CID 84695249
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
3-cyclooctyl-5-propan-2-yl-1,2-oxazole-4-carboxylic acid
CID 114207942
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607
4-cyclohexyl-5-methyl-1,3-oxazole-2-carboxylic acid
CID 105462756
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
4-bromo-3-methylsulfanyl-1,2-oxazole-5-carboxylic acid
CID 83867110
4-bromo-3-methoxy-1,2-oxazole-5-carboxylic acid
CID 83867102
5-bromo-6-cyclopentylpyrazine-2-carboxylic acid
CID 83851658
5-cyclopentyl-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
CID 106821236
3-cyclopentyl-1,2-oxazole-5-carboxylic acid
CID 56828658
3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
CID 105463920

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid (CID 84713707) is 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1onc(C2CCCCC2)c1Br.
What is the InChIKey of 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is QXYYQCKFHWRNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-7-8(6-4-2-1-3-5-6)12-15-9(7)10(13)14/h6H,1-5H2,(H,13,14).
What are the key properties of 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid?
4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid has a molecular weight of 274.11 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclohexyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 84713707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).