(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride

C9H9ClN2O4 — CID 171183708

IUPAC(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C9H8N2O4.ClH/c12-9-10-7(5-15-9)6-3-1-2-4-8(6)11(13)14;/h1-4,7H,5H2,(H,10,12);1H/t7-;/m1./s1
InChIKeyUEVQRQYZFLZBCC-OGFXRTJISA-N
MW244.63 g/mol
LogP1.80
Rot. Bonds2

About (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride

(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 171183708) has the molecular formula C9H9ClN2O4 and a molecular weight of 244.63 g/mol. Its IUPAC name is (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID171183708
Molecular FormulaC9H9ClN2O4
Molecular Weight244.63 g/mol
Exact Mass244.03
IUPAC Name(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CO1
InChIInChI=1S/C9H8N2O4.ClH/c12-9-10-7(5-15-9)6-3-1-2-4-8(6)11(13)14;/h1-4,7H,5H2,(H,10,12);1H/t7-;/m1./s1
InChIKeyUEVQRQYZFLZBCC-OGFXRTJISA-N
XLogP1.80
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.63
LogP ≤ 51.80
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

(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
(4S)-5,5-dimethyl-4-(2-nitrophenyl)-1,3-oxazinan-2-one
CID 171186092
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
3-(2-nitrophenyl)morpholine
CID 69296490
5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
CID 162329662
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 171184181
(4S)-4-(5-hydroxy-2-nitrophenyl)-1,3-oxazinan-2-one
CID 171185742
(4S)-4-[(2-nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 171480948

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride (CID 171183708) is (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CO1.
What is the InChIKey of (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is UEVQRQYZFLZBCC-OGFXRTJISA-N. The full InChI is InChI=1S/C9H8N2O4.ClH/c12-9-10-7(5-15-9)6-3-1-2-4-8(6)11(13)14;/h1-4,7H,5H2,(H,10,12);1H/t7-;/m1./s1.
What are the key properties of (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride?
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 244.63 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 171183708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).