1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone

C11H12N2O5 — CID 112736898

IUPAC1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)CO1
InChIInChI=1S/C11H12N2O5/c14-10-6-12(18-7-10)11(15)5-8-1-3-9(4-2-8)13(16)17/h1-4,10,14H,5-7H2/t10-/m1/s1
InChIKeyJTARPQSVFMOTQN-SNVBAGLBSA-N
MW252.23 g/mol
LogP0.27
Rot. Bonds3

About 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone

1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone (PubChem CID 112736898) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
PubChem CID112736898
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)CO1
InChIInChI=1S/C11H12N2O5/c14-10-6-12(18-7-10)11(15)5-8-1-3-9(4-2-8)13(16)17/h1-4,10,14H,5-7H2/t10-/m1/s1
InChIKeyJTARPQSVFMOTQN-SNVBAGLBSA-N
XLogP0.27
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.27
H-Bond Donors ≤ 51
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'}

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916
potassium 2-(4-nitrophenyl)acetate
CID 15261201
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880
1-(3-aminoazetidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 65245101
1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
1-[(4-nitrophenyl)methyl]azetidin-3-ol
CID 63282077
2-(4-nitrophenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402554
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-(4-nitrophenyl)acetamide
CID 43594379
1-[2-(4-nitrophenyl)acetyl]azetidin-2-one
CID 71616492
2-(4-chlorophenyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 2870850
1-(3-amino-5-methylpiperidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 79992733

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone?
The IUPAC name of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone (CID 112736898) is 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone.
What is the SMILES notation for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone?
The canonical SMILES for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H](O)CO1.
What is the InChIKey of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone?
The InChIKey is JTARPQSVFMOTQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-10-6-12(18-7-10)11(15)5-8-1-3-9(4-2-8)13(16)17/h1-4,10,14H,5-7H2/t10-/m1/s1.
What are the key properties of 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone?
1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone has a molecular weight of 252.23 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-nitrophenyl)ethanone is sourced from PubChem (CID 112736898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).