2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate

C11H8NO5- — CID 25181261

IUPAC2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate
SMILESO=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C11H9NO5/c13-8(14)6-12-10(15)9(17-11(12)16)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)/p-1/t9-/m0/s1
InChIKeyBOCMLQYREYMDBY-VIFPVBQESA-M
MW234.19 g/mol
LogP-0.54
Rot. Bonds3

About 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate

2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate (PubChem CID 25181261) has the molecular formula C11H8NO5- and a molecular weight of 234.19 g/mol. Its IUPAC name is 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Name2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate
PubChem CID25181261
Molecular FormulaC11H8NO5-
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate
SMILESO=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O
InChIInChI=1S/C11H9NO5/c13-8(14)6-12-10(15)9(17-11(12)16)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)/p-1/t9-/m0/s1
InChIKeyBOCMLQYREYMDBY-VIFPVBQESA-M
XLogP-0.54
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate (CID 25181261) is 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate is O=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O.
What is the InChIKey of 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate?
The InChIKey is BOCMLQYREYMDBY-VIFPVBQESA-M. The full InChI is InChI=1S/C11H9NO5/c13-8(14)6-12-10(15)9(17-11(12)16)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,13,14)/p-1/t9-/m0/s1.
What are the key properties of 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate?
2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate has a molecular weight of 234.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-2,4-dioxo-5-phenyl-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 25181261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).