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

C9H7NO3 — CID 11019396

IUPAC(4S)-4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)/t7-/m0/s1
InChIKeyZSEHBLBYCASPDO-ZETCQYMHSA-N
MW177.16 g/mol
LogP0.99
Rot. Bonds1

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

(4S)-4-phenyl-1,3-oxazolidine-2,5-dione (PubChem CID 11019396) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is (4S)-4-phenyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-phenyl-1,3-oxazolidine-2,5-dione
PubChem CID11019396
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name(4S)-4-phenyl-1,3-oxazolidine-2,5-dione
SMILESO=C1N[C@@H](c2ccccc2)C(=O)O1
InChIInChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)/t7-/m0/s1
InChIKeyZSEHBLBYCASPDO-ZETCQYMHSA-N
XLogP0.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-phenyl-1,3-oxazolidine-2,5-dione (CID 11019396) is (4S)-4-phenyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-phenyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-phenyl-1,3-oxazolidine-2,5-dione is O=C1N[C@@H](c2ccccc2)C(=O)O1.
What is the InChIKey of (4S)-4-phenyl-1,3-oxazolidine-2,5-dione?
The InChIKey is ZSEHBLBYCASPDO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H7NO3/c11-8-7(10-9(12)13-8)6-4-2-1-3-5-6/h1-5,7H,(H,10,12)/t7-/m0/s1.
What are the key properties of (4S)-4-phenyl-1,3-oxazolidine-2,5-dione?
(4S)-4-phenyl-1,3-oxazolidine-2,5-dione has a molecular weight of 177.16 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 11019396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).