(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one

C11H12INO2 — CID 58355960

IUPAC(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(I)c(C2OC(=O)N[C@@H]2C)c1
InChIInChI=1S/C11H12INO2/c1-6-3-4-9(12)8(5-6)10-7(2)13-11(14)15-10/h3-5,7,10H,1-2H3,(H,13,14)/t7-,10?/m1/s1
InChIKeyPVSSZQBAOAHTSX-PVSHWOEXSA-N
MW317.13 g/mol
LogP2.77
Rot. Bonds1

About (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one

(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58355960) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID58355960
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCc1ccc(I)c(C2OC(=O)N[C@@H]2C)c1
InChIInChI=1S/C11H12INO2/c1-6-3-4-9(12)8(5-6)10-7(2)13-11(14)15-10/h3-5,7,10H,1-2H3,(H,13,14)/t7-,10?/m1/s1
InChIKeyPVSSZQBAOAHTSX-PVSHWOEXSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.77
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 (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one (CID 58355960) is (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one is Cc1ccc(I)c(C2OC(=O)N[C@@H]2C)c1.
What is the InChIKey of (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is PVSSZQBAOAHTSX-PVSHWOEXSA-N. The full InChI is InChI=1S/C11H12INO2/c1-6-3-4-9(12)8(5-6)10-7(2)13-11(14)15-10/h3-5,7,10H,1-2H3,(H,13,14)/t7-,10?/m1/s1.
What are the key properties of (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one?
(4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 317.13 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(2-iodo-5-methylphenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58355960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).