2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one

C13H17NO3 — CID 105496144

IUPAC2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one
SMILESCC(C)C1CC(=O)N(c2ccccc2CO)O1
InChIInChI=1S/C13H17NO3/c1-9(2)12-7-13(16)14(17-12)11-6-4-3-5-10(11)8-15/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyVJGDXJHKJVVCBT-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one

2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one (PubChem CID 105496144) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one
PubChem CID105496144
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one
SMILESCC(C)C1CC(=O)N(c2ccccc2CO)O1
InChIInChI=1S/C13H17NO3/c1-9(2)12-7-13(16)14(17-12)11-6-4-3-5-10(11)8-15/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyVJGDXJHKJVVCBT-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one (CID 105496144) is 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one is CC(C)C1CC(=O)N(c2ccccc2CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one?
The InChIKey is VJGDXJHKJVVCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(2)12-7-13(16)14(17-12)11-6-4-3-5-10(11)8-15/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one?
2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one has a molecular weight of 235.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)phenyl]-5-propan-2-yl-1,2-oxazolidin-3-one is sourced from PubChem (CID 105496144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).