(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

C22H15FN2O2 — CID 69085234

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(C#Cc3ccccc3)nc2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C22H15FN2O2/c23-18-8-4-7-16(13-18)21-20(25-22(26)27-21)17-10-12-19(24-14-17)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
InChIKeyDSSGDSGRRYZILY-NHCUHLMSSA-N
MW358.37 g/mol
LogP4.14
Rot. Bonds2

About (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one

(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 69085234) has the molecular formula C22H15FN2O2 and a molecular weight of 358.37 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID69085234
Molecular FormulaC22H15FN2O2
Molecular Weight358.37 g/mol
Exact Mass358.11
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2ccc(C#Cc3ccccc3)nc2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C22H15FN2O2/c23-18-8-4-7-16(13-18)21-20(25-22(26)27-21)17-10-12-19(24-14-17)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1
InChIKeyDSSGDSGRRYZILY-NHCUHLMSSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 54.14
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 (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 69085234) is (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2ccc(C#Cc3ccccc3)nc2)[C@@H](c2cccc(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is DSSGDSGRRYZILY-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H15FN2O2/c23-18-8-4-7-16(13-18)21-20(25-22(26)27-21)17-10-12-19(24-14-17)11-9-15-5-2-1-3-6-15/h1-8,10,12-14,20-21H,(H,25,26)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 358.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69085234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).