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

C10H10N2O5 — CID 171480948

IUPAC(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COc2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H10N2O5/c13-10-11-7(6-17-10)5-16-9-4-2-1-3-8(9)12(14)15/h1-4,7H,5-6H2,(H,11,13)/t7-/m0/s1
InChIKeyPAGAGYPKGQAXBS-ZETCQYMHSA-N
MW238.20 g/mol
LogP1.08
Rot. Bonds4

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

(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 171480948) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID171480948
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](COc2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C10H10N2O5/c13-10-11-7(6-17-10)5-16-9-4-2-1-3-8(9)12(14)15/h1-4,7H,5-6H2,(H,11,13)/t7-/m0/s1
InChIKeyPAGAGYPKGQAXBS-ZETCQYMHSA-N
XLogP1.08
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.08
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

(4S)-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480946
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
CID 70926848
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CID 40778145
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ethane;3-(2-nitrophenoxy)oxolan-2-one
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CID 151853711
N-(cyclopropylmethyl)-2-nitro-6-[[(2S)-oxiran-2-yl]methoxy]aniline
CID 58604544
bicyclo[2.2.0]hexa-1,3,5-triene;1-ethoxy-2-nitrobenzene
CID 175518367
3-(2-nitrophenoxy)propan-1-ol
CID 18791292

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one (CID 171480948) is (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one is O=C1N[C@@H](COc2ccccc2[N+](=O)[O-])CO1.
What is the InChIKey of (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is PAGAGYPKGQAXBS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2O5/c13-10-11-7(6-17-10)5-16-9-4-2-1-3-8(9)12(14)15/h1-4,7H,5-6H2,(H,11,13)/t7-/m0/s1.
What are the key properties of (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one?
(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 238.20 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171480948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).