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

C23H16FNO2 — CID 69083336

IUPAC(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)/t21-,22-/m1/s1
InChIKeyONZBAIHVFMEUIY-FGZHOGPDSA-N
MW357.38 g/mol
LogP4.75
Rot. Bonds2

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

(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 69083336) has the molecular formula C23H16FNO2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID69083336
Molecular FormulaC23H16FNO2
Molecular Weight357.38 g/mol
Exact Mass357.12
IUPAC Name(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2cccc(F)c2)O1
InChIInChI=1S/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)/t21-,22-/m1/s1
InChIKeyONZBAIHVFMEUIY-FGZHOGPDSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-5-phenyl-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69081973
(+)-(4R,5R)-5-(3-Methoxyphenyl)-4-(3-(phenylethynyl)phenyl)oxazolidin-2-one
CID 69083418
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4,5-Diphenyl-1,3-oxazolidin-2-one
CID 349667
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032
Benzyl 1-(4-flurophenyl)but-3-enylcarbamate
CID 129845489
benzyl N-[(S)-(4-fluorophenyl)-(5-oxo-2H-furan-2-yl)methyl]carbamate
CID 134961726
benzyl N-[(S)-(4-fluorophenyl)-[(2R)-5-oxo-2-phenylfuran-2-yl]methyl]carbamate
CID 134961728
benzyl N-[(S)-(4-fluorophenyl)-(2-oxo-4,5,6,7-tetrahydro-1-benzofuran-7a-yl)methyl]carbamate
CID 134961729
benzyl N-[(S)-[(7aS)-2-oxo-4,5,6,7-tetrahydro-1-benzofuran-7a-yl]-(4-fluorophenyl)methyl]carbamate
CID 168335206
(R)-5,5-Diphenyl-4-benzyl-2-oxazolidinone
CID 4527113

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one (CID 69083336) is (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2cccc(F)c2)O1.
What is the InChIKey of (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is ONZBAIHVFMEUIY-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H16FNO2/c24-20-11-5-10-19(15-20)22-21(25-23(26)27-22)18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,21-22H,(H,25,26)/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 357.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(3-fluorophenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69083336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).