5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

C11H13NO3 — CID 115062429

IUPAC5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)C(Cc2ccccc2)O1
InChIInChI=1S/C11H13NO3/c13-7-9-10(15-11(14)12-9)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeyINRNCNUQPXGSJK-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.70
Rot. Bonds3

About 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one

5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 115062429) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID115062429
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(CO)C(Cc2ccccc2)O1
InChIInChI=1S/C11H13NO3/c13-7-9-10(15-11(14)12-9)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14)
InChIKeyINRNCNUQPXGSJK-UHFFFAOYSA-N
XLogP0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 158691447
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
(4S,5S)-4-benzyl-5-[(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidin-5-yl]-1,3-oxazolidin-2-one
CID 15012939
(4S,5R)-4-(hydroxymethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 101245141
5-[(2S)-2-amino-3-phenylpropyl]-4-benzyl-1,3-oxazolidin-2-one
CID 67959001
(4S,5S)-5-(2-hydroxyethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 11128759
(4S,5S)-4-benzyl-2-oxo-1,3-oxazolidine-5-carboperoxoic acid
CID 59131647
4-(aminomethyl)-5-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062527
4-(aminomethyl)-5-[(3-fluorophenyl)methyl]-1,3-oxazolidin-2-one
CID 115062497
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
4-(hydroxymethyl)-5-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115062397
5-(2-fluorophenyl)-4-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 115062399

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 115062429) is 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1NC(CO)C(Cc2ccccc2)O1.
What is the InChIKey of 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is INRNCNUQPXGSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-7-9-10(15-11(14)12-9)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,12,14).
What are the key properties of 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one?
5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 207.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115062429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).