4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid

C11H8BrNO4 — CID 117191045

IUPAC4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2ccccc2Br)co1
InChIInChI=1S/C11H8BrNO4/c12-8-3-1-2-4-9(8)16-5-7-6-17-10(13-7)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyLTSROMGLKITYCW-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.71
Rot. Bonds4

About 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid

4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid (PubChem CID 117191045) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid
PubChem CID117191045
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(COc2ccccc2Br)co1
InChIInChI=1S/C11H8BrNO4/c12-8-3-1-2-4-9(8)16-5-7-6-17-10(13-7)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyLTSROMGLKITYCW-UHFFFAOYSA-N
XLogP2.71
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.09
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-bromophenoxy)methyl]-1,3-oxazol-2-amine
CID 117190937
5-[(2-bromophenoxy)methyl]-1H-pyrazole-4-carboxylic acid
CID 117217765
5-[(2-bromophenoxy)methyl]-2-methylfuran-3-carboxylic acid
CID 43476801
3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 63336486
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
7-(2-bromophenoxy)heptanoic acid
CID 39423766
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
4-[(2-fluorophenoxy)methyl]-2-methyl-1,3-oxazole
CID 117190932
4-[(2-bromophenoxy)methyl]-1,2-oxazole
CID 60871511
4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564937
2-[[5-[(2-bromophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 53263484
4-[(2-bromophenoxy)methyl]-N-methylpyrimidin-2-amine
CID 112751384

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid (CID 117191045) is 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(COc2ccccc2Br)co1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid?
The InChIKey is LTSROMGLKITYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c12-8-3-1-2-4-9(8)16-5-7-6-17-10(13-7)11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid?
4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid has a molecular weight of 298.09 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 117191045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).