3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C11H13NO3 — CID 2793798

IUPAC3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1Cc1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyQNLZNBYVKXPUFF-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.00
Rot. Bonds3

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

3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 2793798) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID2793798
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1Cc1ccccc1
InChIInChI=1S/C11H13NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
InChIKeyQNLZNBYVKXPUFF-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 2793798) is 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QNLZNBYVKXPUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-10-7-12(11(14)15-10)6-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2.
What are the key properties of 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 2793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).