4-(2-iodophenyl)-1,3-oxazolidin-2-one

C9H8INO2 — CID 130156491

IUPAC4-(2-iodophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2I)CO1
InChIInChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyOSIOHODPKPKOOW-UHFFFAOYSA-N
MW289.07 g/mol
LogP2.07
Rot. Bonds1

About 4-(2-iodophenyl)-1,3-oxazolidin-2-one

4-(2-iodophenyl)-1,3-oxazolidin-2-one (PubChem CID 130156491) has the molecular formula C9H8INO2 and a molecular weight of 289.07 g/mol. Its IUPAC name is 4-(2-iodophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(2-iodophenyl)-1,3-oxazolidin-2-one
PubChem CID130156491
Molecular FormulaC9H8INO2
Molecular Weight289.07 g/mol
Exact Mass288.96
IUPAC Name4-(2-iodophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2ccccc2I)CO1
InChIInChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12)
InChIKeyOSIOHODPKPKOOW-UHFFFAOYSA-N
XLogP2.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.07
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(4R)-4-phenyl-1,3-oxazolidin-2-one;hydrochloride
CID 171184730
(4R)-4-(2,3-dimethylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184393
(4S)-4-[2-(trifluoromethylsulfanyl)phenyl]-1,3-oxazolidin-2-one
CID 171184072
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 171184181
(4S)-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,3-oxazolidin-2-one
CID 171184161
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
CID 130692620
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4R)-4-(2-hydroxy-3,5-diiodophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184780
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
ethane;ethene;4-phenyl-1,3-oxazolidin-2-one
CID 144602725

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(2-iodophenyl)-1,3-oxazolidin-2-one (CID 130156491) is 4-(2-iodophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(2-iodophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(2-iodophenyl)-1,3-oxazolidin-2-one is O=C1NC(c2ccccc2I)CO1.
What is the InChIKey of 4-(2-iodophenyl)-1,3-oxazolidin-2-one?
The InChIKey is OSIOHODPKPKOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO2/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-4,8H,5H2,(H,11,12).
What are the key properties of 4-(2-iodophenyl)-1,3-oxazolidin-2-one?
4-(2-iodophenyl)-1,3-oxazolidin-2-one has a molecular weight of 289.07 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130156491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).