(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

C10H10N2O5 — CID 11218620

IUPAC(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C10H10N2O5/c13-9(8-5-17-10(14)11-8)6-1-3-7(4-2-6)12(15)16/h1-4,8-9,13H,5H2,(H,11,14)/t8-,9-/m1/s1
InChIKeyCGFNTQLZINKEQB-RKDXNWHRSA-N
MW238.20 g/mol
LogP0.74
Rot. Bonds3

About (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one

(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 11218620) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID11218620
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C10H10N2O5/c13-9(8-5-17-10(14)11-8)6-1-3-7(4-2-6)12(15)16/h1-4,8-9,13H,5H2,(H,11,14)/t8-,9-/m1/s1
InChIKeyCGFNTQLZINKEQB-RKDXNWHRSA-N
XLogP0.74
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (CID 11218620) is (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is O=C1N[C@@H]([C@H](O)c2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CGFNTQLZINKEQB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-9(8-5-17-10(14)11-8)6-1-3-7(4-2-6)12(15)16/h1-4,8-9,13H,5H2,(H,11,14)/t8-,9-/m1/s1.
What are the key properties of (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
(4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 238.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-hydroxy-(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11218620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).