[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol

C11H14N2O4 — CID 102046369

IUPAC[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol
SMILESC[C@@]1(CO)CO[C@H](c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C11H14N2O4/c1-11(6-14)7-17-10(12-11)8-2-4-9(5-3-8)13(15)16/h2-5,10,12,14H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyDFMJSGURPFISFN-GHMZBOCLSA-N
MW238.24 g/mol
LogP0.96
Rot. Bonds3

About [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol

[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol (PubChem CID 102046369) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol
PubChem CID102046369
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol
SMILESC[C@@]1(CO)CO[C@H](c2ccc([N+](=O)[O-])cc2)N1
InChIInChI=1S/C11H14N2O4/c1-11(6-14)7-17-10(12-11)8-2-4-9(5-3-8)13(15)16/h2-5,10,12,14H,6-7H2,1H3/t10-,11-/m1/s1
InChIKeyDFMJSGURPFISFN-GHMZBOCLSA-N
XLogP0.96
TPSA84.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
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

[(2R,4S)-4-ethyl-2-[4-[(2S,4R)-4-ethyl-4-(hydroxymethyl)-1,3-oxazolidin-2-yl]phenyl]-1,3-oxazolidin-4-yl]methanol
CID 101166026
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657
[(3R,7aS)-3-(4-nitrophenyl)spiro[3,7-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazole-5,1'-cyclopentane]-7a-yl]methanol
CID 101051002
(2S)-4,4-dimethyl-2-(4-nitrophenyl)-1,3-oxazolidin-3-ium
CID 7309008
[(2R)-2-(4-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-4-yl]methanol
CID 91413630
(2S,4R)-2-(4-nitrophenyl)-4-propan-2-yl-1,3-oxazinane
CID 23660249
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
[2,3-dimethyl-1-(4-nitrophenyl)cyclobutyl]methanol
CID 67560752
3,5,5-trimethyl-2-(4-nitrophenyl)-1,3-oxazinane
CID 23278525
trans-(1S,3S)-2,2-dimethyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 124512974
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
[(2S,3R)-3-(4-nitrophenyl)oxiran-2-yl]methanol
CID 15678237

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol?
The IUPAC name of [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol (CID 102046369) is [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol.
What is the SMILES notation for [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol?
The canonical SMILES for [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol is C[C@@]1(CO)CO[C@H](c2ccc([N+](=O)[O-])cc2)N1.
What is the InChIKey of [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol?
The InChIKey is DFMJSGURPFISFN-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-11(6-14)7-17-10(12-11)8-2-4-9(5-3-8)13(15)16/h2-5,10,12,14H,6-7H2,1H3/t10-,11-/m1/s1.
What are the key properties of [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol?
[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol has a molecular weight of 238.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol is sourced from PubChem (CID 102046369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).