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

C12H15NO4 — CID 13416097

IUPAC(4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](COCc2ccccc2)[C@H](CO)O1
InChIInChI=1S/C12H15NO4/c14-6-11-10(13-12(15)17-11)8-16-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11+/m1/s1
InChIKeyDMZJJBIUXZWCGM-MNOVXSKESA-N
MW237.25 g/mol
LogP0.67
Rot. Bonds5

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

(4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 13416097) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
PubChem CID13416097
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](COCc2ccccc2)[C@H](CO)O1
InChIInChI=1S/C12H15NO4/c14-6-11-10(13-12(15)17-11)8-16-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11+/m1/s1
InChIKeyDMZJJBIUXZWCGM-MNOVXSKESA-N
XLogP0.67
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one (CID 13416097) is (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](COCc2ccccc2)[C@H](CO)O1.
What is the InChIKey of (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is DMZJJBIUXZWCGM-MNOVXSKESA-N. The full InChI is InChI=1S/C12H15NO4/c14-6-11-10(13-12(15)17-11)8-16-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11+/m1/s1.
What are the key properties of (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(hydroxymethyl)-4-(phenylmethoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 13416097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).