3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one

C11H12INO3 — CID 174286957

IUPAC3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one
SMILESCOC1OC(=O)N(c2ccc(I)cc2)C1C
InChIInChI=1S/C11H12INO3/c1-7-10(15-2)16-11(14)13(7)9-5-3-8(12)4-6-9/h3-7,10H,1-2H3
InChIKeyUKZQEYFDNNXYKC-UHFFFAOYSA-N
MW333.13 g/mol
LogP2.61
Rot. Bonds2

About 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one

3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one (PubChem CID 174286957) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one
PubChem CID174286957
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one
SMILESCOC1OC(=O)N(c2ccc(I)cc2)C1C
InChIInChI=1S/C11H12INO3/c1-7-10(15-2)16-11(14)13(7)9-5-3-8(12)4-6-9/h3-7,10H,1-2H3
InChIKeyUKZQEYFDNNXYKC-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-iodophenyl)-5-methoxy-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one (CID 174286957) is 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one is COC1OC(=O)N(c2ccc(I)cc2)C1C.
What is the InChIKey of 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is UKZQEYFDNNXYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c1-7-10(15-2)16-11(14)13(7)9-5-3-8(12)4-6-9/h3-7,10H,1-2H3.
What are the key properties of 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one?
3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 333.13 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-5-methoxy-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 174286957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).