(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one

C11H12BrNO2 — CID 95564147

IUPAC(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@@H](CBr)OC2=O)cc1
InChIInChI=1S/C11H12BrNO2/c1-8-2-4-9(5-3-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyMMKJURFQQNFRMD-SNVBAGLBSA-N
MW270.13 g/mol
LogP2.72
Rot. Bonds2

About (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 95564147) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID95564147
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(N2C[C@@H](CBr)OC2=O)cc1
InChIInChI=1S/C11H12BrNO2/c1-8-2-4-9(5-3-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyMMKJURFQQNFRMD-SNVBAGLBSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-(azidomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 58239154
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 104673307
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
2-methyl-N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920545
3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,3-oxazolidin-2-one
CID 629049
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 110327870
ethyl-[2-[methanidyl-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]azanide;uranium(2+)
CID 23383620
5-[[2-(ethylamino)ethyl-methylamino]methyl]-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 23383621
5-(hydroxymethyl)-3-(4-phenylphenyl)-1,3-oxazolidin-2-one;4-methylbenzenesulfonic acid
CID 19788088

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 95564147) is (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc(N2C[C@@H](CBr)OC2=O)cc1.
What is the InChIKey of (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MMKJURFQQNFRMD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-8-2-4-9(5-3-8)13-7-10(6-12)15-11(13)14/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 270.13 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 95564147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).