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

C22H16N2O2 — CID 69086317

IUPAC(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cc(C#Cc3ccccc3)ccn2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-15-17(13-14-23-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1
InChIKeyMLGSJJSDUUXPSV-NHCUHLMSSA-N
MW340.38 g/mol
LogP4.00
Rot. Bonds2

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

(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 69086317) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID69086317
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cc(C#Cc3ccccc3)ccn2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-15-17(13-14-23-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1
InChIKeyMLGSJJSDUUXPSV-NHCUHLMSSA-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'}

Analyze (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-984923
CID 69084898
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid benzyl ester
CID 44403560
(4R,5R)-5-(3-Fluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 69081596
(4R,5R)-5-(4-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69082917
(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69083983
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69085788
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69092896
(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093997
3-Hexanol derivative, 4
CID 57340693
(4R,5R)-5-(2,5-difluorophenyl)-4-(5-(phenylethynyl)pyridin-3-yl)oxazolidin-2-one
CID 57330204
(4R,5R)-5-(4-fluorophenyl)-4-[5-[2-(5-fluoro-3-pyridinyl)ethynyl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69084420
(4R,5R)-5-(2,3-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093210

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 69086317) is (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cc(C#Cc3ccccc3)ccn2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is MLGSJJSDUUXPSV-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-22-24-20(21(26-22)18-9-5-2-6-10-18)19-15-17(13-14-23-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,20-21H,(H,24,25)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-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 (4R,5R)-5-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69086317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).