5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C10H9NO4 — CID 105459853

IUPAC5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2O)C1
InChIInChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-5-7(10(13)14)11-15-9/h1-4,9,12H,5H2,(H,13,14)
InChIKeyWAGSIGNQNRTFAL-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.29
Rot. Bonds2

About 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 105459853) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID105459853
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2O)C1
InChIInChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-5-7(10(13)14)11-15-9/h1-4,9,12H,5H2,(H,13,14)
InChIKeyWAGSIGNQNRTFAL-UHFFFAOYSA-N
XLogP1.29
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 105459853) is 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(c2ccccc2O)C1.
What is the InChIKey of 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is WAGSIGNQNRTFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-5-7(10(13)14)11-15-9/h1-4,9,12H,5H2,(H,13,14).
What are the key properties of 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 105459853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).