3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C18H15FN2O2 — CID 53493104

IUPAC3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ncc(C#Cc3ccccc3)cc2F)C(=O)O1
InChIInChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-15(19)10-14(11-20-16)9-8-13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3
InChIKeyMELDBDQYIOJFIA-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.36
Rot. Bonds1

About 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 53493104) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID53493104
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ncc(C#Cc3ccccc3)cc2F)C(=O)O1
InChIInChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-15(19)10-14(11-20-16)9-8-13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3
InChIKeyMELDBDQYIOJFIA-UHFFFAOYSA-N
XLogP3.36
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
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 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 53493104) is 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(c2ncc(C#Cc3ccccc3)cc2F)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is MELDBDQYIOJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-15(19)10-14(11-20-16)9-8-13-6-4-3-5-7-13/h3-7,10-11H,12H2,1-2H3.
What are the key properties of 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 310.33 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-(2-phenylethynyl)-2-pyridinyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 53493104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).