4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one

C10H10INO2 — CID 175523266

IUPAC4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(I)cc2)CO1
InChIInChI=1S/C10H10INO2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyUFTWBKANOQMMQU-UHFFFAOYSA-N
MW303.10 g/mol
LogP1.94
Rot. Bonds2

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

4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one (PubChem CID 175523266) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
PubChem CID175523266
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccc(I)cc2)CO1
InChIInChI=1S/C10H10INO2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyUFTWBKANOQMMQU-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one (CID 175523266) is 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccc(I)cc2)CO1.
What is the InChIKey of 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is UFTWBKANOQMMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one?
4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 303.10 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 175523266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).