4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one

C25H17NO3 — CID 102100692

IUPAC4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1c1oc2ccccc2c1C#Cc1ccccc1
InChIInChI=1S/C25H17NO3/c27-25-26(22(17-28-25)19-11-5-2-6-12-19)24-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-23(20)29-24/h1-14,22H,17H2
InChIKeyYVPRJHLIEDKJHY-UHFFFAOYSA-N
MW379.42 g/mol
LogP5.53
Rot. Bonds2

About 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one

4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one (PubChem CID 102100692) has the molecular formula C25H17NO3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one
PubChem CID102100692
Molecular FormulaC25H17NO3
Molecular Weight379.42 g/mol
Exact Mass379.12
IUPAC Name4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1c1oc2ccccc2c1C#Cc1ccccc1
InChIInChI=1S/C25H17NO3/c27-25-26(22(17-28-25)19-11-5-2-6-12-19)24-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-23(20)29-24/h1-14,22H,17H2
InChIKeyYVPRJHLIEDKJHY-UHFFFAOYSA-N
XLogP5.53
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one (CID 102100692) is 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)N1c1oc2ccccc2c1C#Cc1ccccc1.
What is the InChIKey of 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is YVPRJHLIEDKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3/c27-25-26(22(17-28-25)19-11-5-2-6-12-19)24-21(16-15-18-9-3-1-4-10-18)20-13-7-8-14-23(20)29-24/h1-14,22H,17H2.
What are the key properties of 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one?
4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 379.42 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[3-(2-phenylethynyl)-1-benzofuran-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102100692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).