4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid

C11H8BrNO4 — CID 117216265

IUPAC4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1COc1cccc(Br)c1
InChIInChI=1S/C11H8BrNO4/c12-8-2-1-3-9(4-8)16-6-7-5-13-17-10(7)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyOFZRMNKQDAXLRQ-UHFFFAOYSA-N
MW298.09 g/mol
LogP2.71
Rot. Bonds4

About 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid

4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117216265) has the molecular formula C11H8BrNO4 and a molecular weight of 298.09 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117216265
Molecular FormulaC11H8BrNO4
Molecular Weight298.09 g/mol
Exact Mass296.96
IUPAC Name4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1COc1cccc(Br)c1
InChIInChI=1S/C11H8BrNO4/c12-8-2-1-3-9(4-8)16-6-7-5-13-17-10(7)11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyOFZRMNKQDAXLRQ-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

5-[(3-bromophenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 117217446
4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117216273
2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
4-[(3-bromophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973498
5-[(3-bromophenoxy)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116629524
5-[(3-bromophenoxy)methyl]-1,2-oxazole-3-carbohydrazide
CID 63576178
5-[(3-bromophenoxy)methyl]-1,2-oxazol-3-amine
CID 117216893
5-bromo-2-[(3-bromophenoxy)methyl]pyridine
CID 104797443
sodium 2-(3-bromophenoxy)acetate
CID 19205570
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
3-[2-(3-bromophenoxy)ethoxy]pyridine-2-carboxylic acid
CID 61380364
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid (CID 117216265) is 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1oncc1COc1cccc(Br)c1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is OFZRMNKQDAXLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4/c12-8-2-1-3-9(4-8)16-6-7-5-13-17-10(7)11(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-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-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117216265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).