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

C22H14F2N2O2 — CID 69093997

IUPAC(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C22H14F2N2O2/c23-18-9-8-16(11-19(18)24)21-20(26-22(27)28-21)17-10-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
InChIKeyLRCGADNIJIRZLQ-NHCUHLMSSA-N
MW376.36 g/mol
LogP4.28
Rot. Bonds2

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

(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 69093997) has the molecular formula C22H14F2N2O2 and a molecular weight of 376.36 g/mol. Its IUPAC name is (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID69093997
Molecular FormulaC22H14F2N2O2
Molecular Weight376.36 g/mol
Exact Mass376.10
IUPAC Name(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C22H14F2N2O2/c23-18-9-8-16(11-19(18)24)21-20(26-22(27)28-21)17-10-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1
InChIKeyLRCGADNIJIRZLQ-NHCUHLMSSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.28
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-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one (CID 69093997) is (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is LRCGADNIJIRZLQ-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H14F2N2O2/c23-18-9-8-16(11-19(18)24)21-20(26-22(27)28-21)17-10-15(12-25-13-17)7-6-14-4-2-1-3-5-14/h1-5,8-13,20-21H,(H,26,27)/t20-,21-/m1/s1.
What are the key properties of (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 376.36 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3,4-difluorophenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69093997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).