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

C11H8BrNO3 — CID 82378595

IUPAC2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccccc2Br)o1
InChIInChI=1S/C11H8BrNO3/c12-8-4-2-1-3-7(8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyDZQACEURAWGYRP-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.73
Rot. Bonds3

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

2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid (PubChem CID 82378595) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
PubChem CID82378595
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Cc2ccccc2Br)o1
InChIInChI=1S/C11H8BrNO3/c12-8-4-2-1-3-7(8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15)
InChIKeyDZQACEURAWGYRP-UHFFFAOYSA-N
XLogP2.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453580
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]ethanone
CID 115086783
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223
2-[(2-bromophenyl)methyl]-5-methylpyrimidine-4-carboxylic acid
CID 114244985
2-[[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1,3-oxazole-5-carboxylic acid
CID 177191367
2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084012
5-[(2-bromophenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093063
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62828650
2-(azidomethyl)-1,3-oxazole-5-carboxylic acid
CID 118453597
2-(2-bromophenyl)acetyl bromide
CID 87290551
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]butan-2-amine
CID 55118280

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid (CID 82378595) is 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid is O=C(O)c1cnc(Cc2ccccc2Br)o1.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid?
The InChIKey is DZQACEURAWGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-4-2-1-3-7(8)5-10-13-6-9(16-10)11(14)15/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid?
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 82378595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).