2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one

C11H13NO3 — CID 105460103

IUPAC2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one
SMILESCC1CC(=O)N(c2ccc(CO)cc2)O1
InChIInChI=1S/C11H13NO3/c1-8-6-11(14)12(15-8)10-4-2-9(7-13)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyUXFHCMHJANZWBI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.24
Rot. Bonds2

About 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one

2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one (PubChem CID 105460103) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one
PubChem CID105460103
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one
SMILESCC1CC(=O)N(c2ccc(CO)cc2)O1
InChIInChI=1S/C11H13NO3/c1-8-6-11(14)12(15-8)10-4-2-9(7-13)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyUXFHCMHJANZWBI-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one (CID 105460103) is 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one is CC1CC(=O)N(c2ccc(CO)cc2)O1.
What is the InChIKey of 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one?
The InChIKey is UXFHCMHJANZWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-6-11(14)12(15-8)10-4-2-9(7-13)3-5-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one?
2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one has a molecular weight of 207.23 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105460103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).