4-nitro-3-phenyl-1,3-oxazolidin-2-one

C9H8N2O4 — CID 54515958

IUPAC4-nitro-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC([N+](=O)[O-])N1c1ccccc1
InChIInChI=1S/C9H8N2O4/c12-9-10(7-4-2-1-3-5-7)8(6-15-9)11(13)14/h1-5,8H,6H2
InChIKeyYMLADDDRUDMHKI-UHFFFAOYSA-N
MW208.17 g/mol
LogP1.25
Rot. Bonds2

About 4-nitro-3-phenyl-1,3-oxazolidin-2-one

4-nitro-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 54515958) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 4-nitro-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-nitro-3-phenyl-1,3-oxazolidin-2-one
PubChem CID54515958
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name4-nitro-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCC([N+](=O)[O-])N1c1ccccc1
InChIInChI=1S/C9H8N2O4/c12-9-10(7-4-2-1-3-5-7)8(6-15-9)11(13)14/h1-5,8H,6H2
InChIKeyYMLADDDRUDMHKI-UHFFFAOYSA-N
XLogP1.25
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-nitro-3-phenyl-1,3-oxazolidin-2-one (CID 54515958) is 4-nitro-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-nitro-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-nitro-3-phenyl-1,3-oxazolidin-2-one is O=C1OCC([N+](=O)[O-])N1c1ccccc1.
What is the InChIKey of 4-nitro-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is YMLADDDRUDMHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O4/c12-9-10(7-4-2-1-3-5-7)8(6-15-9)11(13)14/h1-5,8H,6H2.
What are the key properties of 4-nitro-3-phenyl-1,3-oxazolidin-2-one?
4-nitro-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 208.17 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 54515958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).