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

C18H16N2O3 — CID 53493230

IUPAC5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1
InChIInChI=1S/C18H16N2O3/c1-22-13-16-12-20(18(21)23-16)17-10-9-15(11-19-17)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,12-13H2,1H3
InChIKeyLKJVCWCGQKSQDC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.45
Rot. Bonds3

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

5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 53493230) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID53493230
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1
InChIInChI=1S/C18H16N2O3/c1-22-13-16-12-20(18(21)23-16)17-10-9-15(11-19-17)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,12-13H2,1H3
InChIKeyLKJVCWCGQKSQDC-UHFFFAOYSA-N
XLogP2.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
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 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 53493230) is 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is COCC1CN(c2ccc(C#Cc3ccccc3)cn2)C(=O)O1.
What is the InChIKey of 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is LKJVCWCGQKSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-13-16-12-20(18(21)23-16)17-10-9-15(11-19-17)8-7-14-5-3-2-4-6-14/h2-6,9-11,16H,12-13H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).