(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H9NO4 — CID 11095797

IUPAC(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1ON=C(c2ccccc2)[C@H]1O
InChIInChI=1S/C10H9NO4/c12-8-7(6-4-2-1-3-5-6)11-15-9(8)10(13)14/h1-5,8-9,12H,(H,13,14)/t8-,9-/m1/s1
InChIKeyVEMCNEIDFRVMJD-RKDXNWHRSA-N
MW207.19 g/mol
LogP0.23
Rot. Bonds2

About (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 11095797) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID11095797
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)[C@@H]1ON=C(c2ccccc2)[C@H]1O
InChIInChI=1S/C10H9NO4/c12-8-7(6-4-2-1-3-5-6)11-15-9(8)10(13)14/h1-5,8-9,12H,(H,13,14)/t8-,9-/m1/s1
InChIKeyVEMCNEIDFRVMJD-RKDXNWHRSA-N
XLogP0.23
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 ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 11095797) is (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)[C@@H]1ON=C(c2ccccc2)[C@H]1O.
What is the InChIKey of (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is VEMCNEIDFRVMJD-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H9NO4/c12-8-7(6-4-2-1-3-5-6)11-15-9(8)10(13)14/h1-5,8-9,12H,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
(4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 11095797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).