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

C16H14N4O2 — CID 53493362

IUPAC5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(C#Cc3cncnc3)cn2)C(=O)O1
InChIInChI=1S/C16H14N4O2/c1-16(2)10-20(15(21)22-16)14-6-5-12(9-19-14)3-4-13-7-17-11-18-8-13/h5-9,11H,10H2,1-2H3
InChIKeyMLUBTJSGEZPYFM-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.01
Rot. Bonds1

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

5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 53493362) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID53493362
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(C#Cc3cncnc3)cn2)C(=O)O1
InChIInChI=1S/C16H14N4O2/c1-16(2)10-20(15(21)22-16)14-6-5-12(9-19-14)3-4-13-7-17-11-18-8-13/h5-9,11H,10H2,1-2H3
InChIKeyMLUBTJSGEZPYFM-UHFFFAOYSA-N
XLogP2.01
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 53493362) is 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC1(C)CN(c2ccc(C#Cc3cncnc3)cn2)C(=O)O1.
What is the InChIKey of 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is MLUBTJSGEZPYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-16(2)10-20(15(21)22-16)14-6-5-12(9-19-14)3-4-13-7-17-11-18-8-13/h5-9,11H,10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 294.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[5-(2-pyrimidin-5-ylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53493362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).