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

C11H9NO4 — CID 115084007

IUPAC2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccccc2O)n1
InChIInChI=1S/C11H9NO4/c13-9-4-2-1-3-7(9)5-10-12-8(6-16-10)11(14)15/h1-4,6,13H,5H2,(H,14,15)
InChIKeyOXBAXSPVXNTRDN-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.67
Rot. Bonds3

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

2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 115084007) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID115084007
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Cc2ccccc2O)n1
InChIInChI=1S/C11H9NO4/c13-9-4-2-1-3-7(9)5-10-12-8(6-16-10)11(14)15/h1-4,6,13H,5H2,(H,14,15)
InChIKeyOXBAXSPVXNTRDN-UHFFFAOYSA-N
XLogP1.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid (CID 115084007) is 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Cc2ccccc2O)n1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is OXBAXSPVXNTRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-4-2-1-3-7(9)5-10-12-8(6-16-10)11(14)15/h1-4,6,13H,5H2,(H,14,15).
What are the key properties of 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid?
2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 115084007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).