5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C17H15N3O2 — CID 53493357

IUPAC5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C17H15N3O2/c1-17(2)12-20(16(21)22-17)15-8-7-14(11-19-15)6-5-13-4-3-9-18-10-13/h3-4,7-11H,12H2,1-2H3
InChIKeyCSVJXDYKTNRNLA-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.61
Rot. Bonds1

About 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 53493357) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID53493357
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1
InChIInChI=1S/C17H15N3O2/c1-17(2)12-20(16(21)22-17)15-8-7-14(11-19-15)6-5-13-4-3-9-18-10-13/h3-4,7-11H,12H2,1-2H3
InChIKeyCSVJXDYKTNRNLA-UHFFFAOYSA-N
XLogP2.61
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.61
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 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 53493357) is 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC1(C)CN(c2ccc(C#Cc3cccnc3)cn2)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is CSVJXDYKTNRNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-17(2)12-20(16(21)22-17)15-8-7-14(11-19-15)6-5-13-4-3-9-18-10-13/h3-4,7-11H,12H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 293.33 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[5-(2-pyridin-3-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53493357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).