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

C10H9NO4 — CID 135474612

IUPAC(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m0/s1
InChIKeyWHVGFDBEOIEPBC-ZETCQYMHSA-N
MW207.19 g/mol
LogP0.62
Rot. Bonds2

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

(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (PubChem CID 135474612) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
PubChem CID135474612
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)[C@@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m0/s1
InChIKeyWHVGFDBEOIEPBC-ZETCQYMHSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid (CID 135474612) is (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is O=C(O)[C@@H]1COC(c2ccccc2O)=N1.
What is the InChIKey of (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
The InChIKey is WHVGFDBEOIEPBC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid?
(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 135474612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).