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

C10H9NO4 — CID 115061669

IUPAC5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NCC(c2ccc(O)cc2)O1
InChIInChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)8-5-11-9(15-8)10(13)14/h1-4,8,12H,5H2,(H,13,14)
InChIKeyDITJDSHGLSKFFN-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.95
Rot. Bonds2

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

5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (PubChem CID 115061669) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
PubChem CID115061669
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)C1=NCC(c2ccc(O)cc2)O1
InChIInChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)8-5-11-9(15-8)10(13)14/h1-4,8,12H,5H2,(H,13,14)
InChIKeyDITJDSHGLSKFFN-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid (CID 115061669) is 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is O=C(O)C1=NCC(c2ccc(O)cc2)O1.
What is the InChIKey of 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
The InChIKey is DITJDSHGLSKFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c12-7-3-1-6(2-4-7)8-5-11-9(15-8)10(13)14/h1-4,8,12H,5H2,(H,13,14).
What are the key properties of 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid?
5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 115061669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).