4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

C22H16N2O2 — CID 69081725

IUPAC4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cccc(C#Cc3ccccc3)c2)C(c2cccnc2)O1
InChIInChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)19-10-5-13-23-15-19)18-9-4-8-17(14-18)12-11-16-6-2-1-3-7-16/h1-10,13-15,20-21H,(H,24,25)
InChIKeyMNEWPFGQLYQEHL-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.00
Rot. Bonds2

About 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one

4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 69081725) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID69081725
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cccc(C#Cc3ccccc3)c2)C(c2cccnc2)O1
InChIInChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)19-10-5-13-23-15-19)18-9-4-8-17(14-18)12-11-16-6-2-1-3-7-16/h1-10,13-15,20-21H,(H,24,25)
InChIKeyMNEWPFGQLYQEHL-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.00
H-Bond Donors ≤ 51
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-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one (CID 69081725) is 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is O=C1NC(c2cccc(C#Cc3ccccc3)c2)C(c2cccnc2)O1.
What is the InChIKey of 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is MNEWPFGQLYQEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)19-10-5-13-23-15-19)18-9-4-8-17(14-18)12-11-16-6-2-1-3-7-16/h1-10,13-15,20-21H,(H,24,25).
What are the key properties of 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one?
4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 340.38 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69081725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).