3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one

C9H7BrINO2 — CID 130498812

IUPAC3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cc(I)ccc1Br
InChIInChI=1S/C9H7BrINO2/c10-7-2-1-6(11)5-8(7)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeyHYOUSVQCDZIUGC-UHFFFAOYSA-N
MW367.97 g/mol
LogP3.01
Rot. Bonds1

About 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one

3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one (PubChem CID 130498812) has the molecular formula C9H7BrINO2 and a molecular weight of 367.97 g/mol. Its IUPAC name is 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
PubChem CID130498812
Molecular FormulaC9H7BrINO2
Molecular Weight367.97 g/mol
Exact Mass366.87
IUPAC Name3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1cc(I)ccc1Br
InChIInChI=1S/C9H7BrINO2/c10-7-2-1-6(11)5-8(7)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeyHYOUSVQCDZIUGC-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.97
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-bromo-5-iodophenyl)-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

4-bromo-3-(2-oxo-1,3-oxazolidin-3-yl)benzoic acid
CID 107813666
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
1-(2-bromo-5-iodophenyl)-4-hydroxy-6-oxopyridine-2-carboxylic acid
CID 114261168
4-fluoro-3-(2-oxo-1,3-oxazolidin-3-yl)benzaldehyde
CID 87670002
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
1-(2-bromo-5-iodophenyl)-N-cyclopropylpyrrolidin-3-amine
CID 114261367
3-[2-(aminomethyl)-4-fluorophenyl]-1,3-oxazolidin-2-one
CID 82015368
3-[4-methoxy-2,3-dimethyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86084940
3-[2-(2-oxo-1,3-oxazolidin-3-yl)phosphinin-3-yl]-1,3-oxazolidin-2-one;hydrochloride
CID 172762384

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one (CID 130498812) is 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one is O=C1OCCN1c1cc(I)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one?
The InChIKey is HYOUSVQCDZIUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrINO2/c10-7-2-1-6(11)5-8(7)12-3-4-14-9(12)13/h1-2,5H,3-4H2.
What are the key properties of 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one?
3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one has a molecular weight of 367.97 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-iodophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130498812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).