(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione

C11H11NO4 — CID 71361145

IUPAC(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](COCc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChIKeyQZLBNGOHDLVJAW-VIFPVBQESA-N
MW221.21 g/mol
LogP0.84
Rot. Bonds4

About (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione

(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione (PubChem CID 71361145) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione
PubChem CID71361145
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](COCc2ccccc2)C(=O)O1
InChIInChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1
InChIKeyQZLBNGOHDLVJAW-VIFPVBQESA-N
XLogP0.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione (CID 71361145) is (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione is O=C1N[C@@H](COCc2ccccc2)C(=O)O1.
What is the InChIKey of (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is QZLBNGOHDLVJAW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11NO4/c13-10-9(12-11(14)16-10)7-15-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)/t9-/m0/s1.
What are the key properties of (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione?
(4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 221.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(phenylmethoxymethyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 71361145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).