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

C21H15NO2S — CID 69281803

IUPAC(4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)C(c2cccs2)O1
InChIInChI=1S/C21H15NO2S/c23-21-22-19(20(24-21)18-10-5-13-25-18)17-9-4-8-16(14-17)12-11-15-6-2-1-3-7-15/h1-10,13-14,19-20H,(H,22,23)/t19-,20?/m1/s1
InChIKeySZSWMKVFJLSTMA-FIWHBWSRSA-N
MW345.42 g/mol
LogP4.67
Rot. Bonds2

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

(4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one (PubChem CID 69281803) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one
PubChem CID69281803
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name(4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)C(c2cccs2)O1
InChIInChI=1S/C21H15NO2S/c23-21-22-19(20(24-21)18-10-5-13-25-18)17-9-4-8-16(14-17)12-11-15-6-2-1-3-7-15/h1-10,13-14,19-20H,(H,22,23)/t19-,20?/m1/s1
InChIKeySZSWMKVFJLSTMA-FIWHBWSRSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5S)-5-(3,4-dimethylphenyl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69282051
(4R,5R)-4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 69081724
4-[3-(2-phenylethynyl)phenyl]-5-pyridin-3-yl-1,3-oxazolidin-2-one
CID 69081725
(4S,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-2-one
CID 69282124
(4R,5R)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-phenyl-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 158837271
(4R,5R)-5-(3-fluorophenyl)-4-[6-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 69085234
(4R,5R)-5-(3-fluorophenyl)-4-[2-(2-phenylethynyl)-4-pyridinyl]-1,3-oxazolidin-2-one
CID 69094349
(4R,5S)-4-[3-(2-phenylethynyl)phenyl]-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,3-oxazolidin-2-one
CID 69282171
N'-[(1Z)-1-[(4S,5R)-2-oxo-4-[3-(2-phenylethynyl)phenyl]-1,3-oxazolidin-5-yl]buta-1,3-dienyl]methanimidamide
CID 87765588
5-(3-fluorophenyl)-4-[2-(2-phenylethynyl)pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 77406667
(4R,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4R,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one;(4S,5S)-5-(2-methoxyphenyl)-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-2-one
CID 158511546
(4S,5S)-4-[5-(2-phenylethynyl)-3-pyridinyl]-5-pyridazin-4-yl-1,3-oxazolidin-2-one
CID 69084413

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one (CID 69281803) is (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one is O=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)C(c2cccs2)O1.
What is the InChIKey of (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SZSWMKVFJLSTMA-FIWHBWSRSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-21-22-19(20(24-21)18-10-5-13-25-18)17-9-4-8-16(14-17)12-11-15-6-2-1-3-7-15/h1-10,13-14,19-20H,(H,22,23)/t19-,20?/m1/s1.
What are the key properties of (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one?
(4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one has a molecular weight of 345.42 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(2-phenylethynyl)phenyl]-5-thiophen-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 69281803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).