4-phenyl-2-oxazolidineselone

C9H8NOSe — CID 85151245

IUPAC—
SMILES[Se]C1=NC(c2ccccc2)CO1
InChIInChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyLFDOAYHNYNQBMK-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.28
Rot. Bonds1

About 4-phenyl-2-oxazolidineselone

4-phenyl-2-oxazolidineselone (PubChem CID 85151245) has the molecular formula C9H8NOSe and a molecular weight of 225.13 g/mol.

Molecular Properties

Compound Name4-phenyl-2-oxazolidineselone
PubChem CID85151245
Molecular FormulaC9H8NOSe
Molecular Weight225.13 g/mol
Exact Mass225.98
IUPAC Name—
SMILES[Se]C1=NC(c2ccccc2)CO1
InChIInChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyLFDOAYHNYNQBMK-UHFFFAOYSA-N
XLogP1.28
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-oxazolidineselone?
The IUPAC name of 4-phenyl-2-oxazolidineselone (CID 85151245) is not available.
What is the SMILES notation for 4-phenyl-2-oxazolidineselone?
The canonical SMILES for 4-phenyl-2-oxazolidineselone is [Se]C1=NC(c2ccccc2)CO1.
What is the InChIKey of 4-phenyl-2-oxazolidineselone?
The InChIKey is LFDOAYHNYNQBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NOSe/c12-9-10-8(6-11-9)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of 4-phenyl-2-oxazolidineselone?
4-phenyl-2-oxazolidineselone has a molecular weight of 225.13 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-oxazolidineselone is sourced from PubChem (CID 85151245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).