(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one

C14H15N2O4+ — CID 154690553

IUPAC(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2)CN1C1CCC(=O)[N+](=O)C1
InChIInChI=1S/C14H15N2O4/c17-13-7-6-11(8-16(13)19)15-9-12(20-14(15)18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/q+1/t11?,12-/m1/s1
InChIKeyZOFOWYZVYSUPPY-PIJUOVFKSA-N
MW275.28 g/mol
LogP1.65
Rot. Bonds2

About (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one

(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 154690553) has the molecular formula C14H15N2O4+ and a molecular weight of 275.28 g/mol. Its IUPAC name is (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID154690553
Molecular FormulaC14H15N2O4+
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2)CN1C1CCC(=O)[N+](=O)C1
InChIInChI=1S/C14H15N2O4/c17-13-7-6-11(8-16(13)19)15-9-12(20-14(15)18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/q+1/t11?,12-/m1/s1
InChIKeyZOFOWYZVYSUPPY-PIJUOVFKSA-N
XLogP1.65
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one (CID 154690553) is (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one is O=C1O[C@@H](c2ccccc2)CN1C1CCC(=O)[N+](=O)C1.
What is the InChIKey of (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is ZOFOWYZVYSUPPY-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H15N2O4/c17-13-7-6-11(8-16(13)19)15-9-12(20-14(15)18)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2/q+1/t11?,12-/m1/s1.
What are the key properties of (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one?
(5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 275.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(1,6-dioxopiperidin-1-ium-3-yl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154690553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).