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

C22H15ClN2O2 — CID 69083983

IUPAC(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cccc(Cl)c2)O1
InChIInChI=1S/C22H15ClN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)/t20-,21-/m1/s1
InChIKeyMOUUZZGJRFRCPW-NHCUHLMSSA-N
MW374.83 g/mol
LogP4.66
Rot. Bonds2

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

(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 69083983) has the molecular formula C22H15ClN2O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID69083983
Molecular FormulaC22H15ClN2O2
Molecular Weight374.83 g/mol
Exact Mass374.08
IUPAC Name(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cccc(Cl)c2)O1
InChIInChI=1S/C22H15ClN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)/t20-,21-/m1/s1
InChIKeyMOUUZZGJRFRCPW-NHCUHLMSSA-N
XLogP4.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

Bms-984923
CID 69084898
(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-(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
(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-phenyl-4-[4-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 69086317
(4R,5R)-5-(2,3-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093210
(4R,5R)-5-Phenyl-4-(2-(phenylethynyl)pyridin-4-yl)oxazolidin-2-one
CID 69093438
(4R,5R)-5-(4-fluorophenyl)-4-[5-(2-pyridin-4-ylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69093459

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 69083983) is (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cccc(Cl)c2)O1.
What is the InChIKey of (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is MOUUZZGJRFRCPW-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H15ClN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h1-8,11-14,20-21H,(H,25,26)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 374.83 g/mol, XLogP of 4.66, 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-chlorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69083983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).