(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one

C9H8N2O4 — CID 12065059

IUPAC(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C9H8N2O4/c12-9-10-8(5-15-9)6-1-3-7(4-2-6)11(13)14/h1-4,8H,5H2,(H,10,12)/t8-/m0/s1
InChIKeyWTJDQPJRBWJQIX-QMMMGPOBSA-N
MW208.17 g/mol
LogP1.38
Rot. Bonds2

About (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one

(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one (PubChem CID 12065059) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
PubChem CID12065059
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C9H8N2O4/c12-9-10-8(5-15-9)6-1-3-7(4-2-6)11(13)14/h1-4,8H,5H2,(H,10,12)/t8-/m0/s1
InChIKeyWTJDQPJRBWJQIX-QMMMGPOBSA-N
XLogP1.38
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.38
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

4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
(4S)-4-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 124509749
(4R)-5,5-difluoro-4-(4-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187558
(4S)-4-[(4-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480946
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134
(4S)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185722
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4R)-4-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,3-oxazolidin-2-one
CID 171184662

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one (CID 12065059) is (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The InChIKey is WTJDQPJRBWJQIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-9-10-8(5-15-9)6-1-3-7(4-2-6)11(13)14/h1-4,8H,5H2,(H,10,12)/t8-/m0/s1.
What are the key properties of (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one?
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 12065059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).