(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one

C10H10BrNO2 — CID 132524616

IUPAC(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@](CBr)(c2ccccc2)CO1
InChIInChI=1S/C10H10BrNO2/c11-6-10(7-14-9(13)12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyOQAGNQZFPQWZHH-JTQLQIEISA-N
MW256.10 g/mol
LogP2.02
Rot. Bonds2

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

(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 132524616) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID132524616
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@](CBr)(c2ccccc2)CO1
InChIInChI=1S/C10H10BrNO2/c11-6-10(7-14-9(13)12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/t10-/m0/s1
InChIKeyOQAGNQZFPQWZHH-JTQLQIEISA-N
XLogP2.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]methyl benzoate
CID 134948763
4-ethyl-4-pyridin-3-yl-1,3-oxazolidin-2-one
CID 67719324
[4-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
CID 102224412
(4S)-4-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 102580214
4-methyl-4-phenyl-1,3-oxazinan-2-one
CID 105444856
4-[3-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458788
4-(4-methyl-2-oxo-1,3-oxazolidin-4-yl)benzoic acid
CID 105477023
N-(2-fluoro-2-phenylcyclopropyl)-6-oxo-7-oxa-5-azaspiro[3.4]octane-2-carboxamide
CID 166311379
4-ethyl-4-phenyloxathiazolidine 2,2-dioxide
CID 134832744
methane;methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate;4-phenyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 159137252
(4R)-5,5-difluoro-4-phenyl-1,3-oxazinan-2-one
CID 171188729
4-(bromomethyl)-1-phenyl-2-oxabicyclo[2.1.1]hexane
CID 167727643

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one (CID 132524616) is (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one is O=C1N[C@](CBr)(c2ccccc2)CO1.
What is the InChIKey of (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OQAGNQZFPQWZHH-JTQLQIEISA-N. The full InChI is InChI=1S/C10H10BrNO2/c11-6-10(7-14-9(13)12-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/t10-/m0/s1.
What are the key properties of (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 256.10 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(bromomethyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132524616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).