(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one

C10H10N2O4 — CID 13307960

IUPAC(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-6-9(16-10(13)11-6)7-2-4-8(5-3-7)12(14)15/h2-6,9H,1H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyBQVAEVNRXBIQLH-RCOVLWMOSA-N
MW222.20 g/mol
LogP1.76
Rot. Bonds2

About (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one

(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one (PubChem CID 13307960) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
PubChem CID13307960
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one
SMILESC[C@@H]1NC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O4/c1-6-9(16-10(13)11-6)7-2-4-8(5-3-7)12(14)15/h2-6,9H,1H3,(H,11,13)/t6-,9-/m0/s1
InChIKeyBQVAEVNRXBIQLH-RCOVLWMOSA-N
XLogP1.76
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.76
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

(5S)-4-methyl-5-[4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 69224006
4-methyl-6-(4-nitrophenyl)-5-(oxomethylidene)-1,3-diazinan-2-one
CID 57140644
2,2,4-trimethyl-5-(4-nitrophenyl)-1,3-dioxolane
CID 131850091
2-(4-nitrophenyl)-1,3-benzodioxole
CID 53305093
(5R)-5-(3,5-dichlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 70899650
(4R)-4-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 12065059
(4R,4aS,5S,8aS)-3,5,8-trimethyl-4-(4-nitrophenyl)-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 1256236
2-(4-nitrophenyl)-3-propan-2-yloxirane
CID 175233760
4-(4-nitrophenyl)azetidin-2-one
CID 55255418
(2E,4R,5S)-4-methyl-2-(nitromethylidene)-5-phenyl-1,3-oxazolidine
CID 135443931
(4R)-5,5-difluoro-4-(4-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171187558
(4S,5R)-5-(dimethylamino)-4-(4-nitrophenyl)-1,3-dioxan-2-one
CID 99973008

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one (CID 13307960) is (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one is C[C@@H]1NC(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one?
The InChIKey is BQVAEVNRXBIQLH-RCOVLWMOSA-N. The full InChI is InChI=1S/C10H10N2O4/c1-6-9(16-10(13)11-6)7-2-4-8(5-3-7)12(14)15/h2-6,9H,1H3,(H,11,13)/t6-,9-/m0/s1.
What are the key properties of (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one?
(4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one has a molecular weight of 222.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methyl-5-(4-nitrophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 13307960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).