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

C10H10N2O4 — CID 10353477

IUPAC(4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C10H10N2O4/c13-10-11-8(6-16-10)5-7-1-3-9(4-2-7)12(14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1
InChIKeyCCEJPIYBVGYGEM-QMMMGPOBSA-N
MW222.20 g/mol
LogP1.25
Rot. Bonds3

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

(4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 10353477) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID10353477
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C10H10N2O4/c13-10-11-8(6-16-10)5-7-1-3-9(4-2-7)12(14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1
InChIKeyCCEJPIYBVGYGEM-QMMMGPOBSA-N
XLogP1.25
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(S)-4-(4-Aminobenzyl)oxazolidin-2-one
CID 7099156
(S)-3-(4-nitrophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide
CID 44581279
4-(4-nitrophenyl)butyl N-cyclohexylcarbamate
CID 22978791
(5Z)-5-[(4-nitrophenyl)methylidene]-2-pentyl-1,3-oxazolidin-4-one
CID 122192987
Tert-butyl N-[2-(4-nitrophenyl)ethyl]carbamate
CID 10264884
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-nitrophenyl)propanoate
CID 11558856
2,2,2-trifluoroethyl N-[(4-nitrophenyl)methyl]carbamate
CID 47050766
4R-(1R-hydroxy-(4-nitrophenyl)-methyl)-1,3-oxazolidin-2-one
CID 11218620
(4S)-4-(4-nitrophenyl)-2-oxo-1,3-oxazolidine-3-sulfonyl fluoride
CID 177615366
2-(4-nitrophenyl)-N-[4-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]phenyl]acetamide
CID 177643716
4-(4-Hydrazinobenzyl)-2-oxazolidinone
CID 9815661
(S)-4-(4-hydrazinobenzyl)-2-oxazolidinone
CID 9990596

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one (CID 10353477) is (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](Cc2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is CCEJPIYBVGYGEM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-10-11-8(6-16-10)5-7-1-3-9(4-2-7)12(14)15/h1-4,8H,5-6H2,(H,11,13)/t8-/m0/s1.
What are the key properties of (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one?
(4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-nitrophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10353477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).