4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile

C23H15N3O2 — CID 69094289

IUPAC4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(C#Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H15N3O2/c24-13-17-8-10-19(11-9-17)22-21(26-23(27)28-22)20-12-18(14-25-15-20)7-6-16-4-2-1-3-5-16/h1-5,8-12,14-15,21-22H,(H,26,27)/t21-,22-/m1/s1
InChIKeyMCWBCUSPQANHQM-FGZHOGPDSA-N
MW365.39 g/mol
LogP3.88
Rot. Bonds2

About 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile

4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile (PubChem CID 69094289) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile
PubChem CID69094289
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile
SMILESN#Cc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(C#Cc3ccccc3)c2)cc1
InChIInChI=1S/C23H15N3O2/c24-13-17-8-10-19(11-9-17)22-21(26-23(27)28-22)20-12-18(14-25-15-20)7-6-16-4-2-1-3-5-16/h1-5,8-12,14-15,21-22H,(H,26,27)/t21-,22-/m1/s1
InChIKeyMCWBCUSPQANHQM-FGZHOGPDSA-N
XLogP3.88
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile?
The IUPAC name of 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile (CID 69094289) is 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile.
What is the SMILES notation for 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile?
The canonical SMILES for 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile is N#Cc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(C#Cc3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile?
The InChIKey is MCWBCUSPQANHQM-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H15N3O2/c24-13-17-8-10-19(11-9-17)22-21(26-23(27)28-22)20-12-18(14-25-15-20)7-6-16-4-2-1-3-5-16/h1-5,8-12,14-15,21-22H,(H,26,27)/t21-,22-/m1/s1.
What are the key properties of 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile?
4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile has a molecular weight of 365.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-2-oxo-4-[5-(2-phenylethynyl)-3-pyridinyl]-1,3-oxazolidin-5-yl]benzonitrile is sourced from PubChem (CID 69094289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).