5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one

C11H13NO3 — CID 115064715

IUPAC5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCC1(CO)CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C11H13NO3/c1-11(8-13)7-12(10(14)15-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3
InChIKeyIJHRDXOPNNWNCV-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.39
Rot. Bonds2

About 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one

5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 115064715) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
PubChem CID115064715
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
SMILESCC1(CO)CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C11H13NO3/c1-11(8-13)7-12(10(14)15-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3
InChIKeyIJHRDXOPNNWNCV-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one (CID 115064715) is 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one is CC1(CO)CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IJHRDXOPNNWNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(8-13)7-12(10(14)15-11)9-5-3-2-4-6-9/h2-6,13H,7-8H2,1H3.
What are the key properties of 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).