4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one

C17H13NO2 — CID 72756145

IUPAC4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1C#Cc1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-18(12-11-14-7-3-1-4-8-14)16(13-20-17)15-9-5-2-6-10-15/h1-10,16H,13H2
InChIKeyAXICIYQUTXPTCF-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.19
Rot. Bonds1

About 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one

4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one (PubChem CID 72756145) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
PubChem CID72756145
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1C#Cc1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-18(12-11-14-7-3-1-4-8-14)16(13-20-17)15-9-5-2-6-10-15/h1-10,16H,13H2
InChIKeyAXICIYQUTXPTCF-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one (CID 72756145) is 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)N1C#Cc1ccccc1.
What is the InChIKey of 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The InChIKey is AXICIYQUTXPTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-17-18(12-11-14-7-3-1-4-8-14)16(13-20-17)15-9-5-2-6-10-15/h1-10,16H,13H2.
What are the key properties of 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one has a molecular weight of 263.30 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 72756145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).