4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

C20H20N2O2 — CID 53493360

IUPAC4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1(C)C
InChIInChI=1S/C20H20N2O2/c1-19(2)20(3,4)24-18(23)22(19)17-13-12-16(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,1-4H3
InChIKeyRGDFQXNMPLXTLJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.00
Rot. Bonds1

About 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one

4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 53493360) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID53493360
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1(C)C
InChIInChI=1S/C20H20N2O2/c1-19(2)20(3,4)24-18(23)22(19)17-13-12-16(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,1-4H3
InChIKeyRGDFQXNMPLXTLJ-UHFFFAOYSA-N
XLogP4.00
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.00
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 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 53493360) is 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccc(C#Cc3ccccc3)cn2)C1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is RGDFQXNMPLXTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-19(2)20(3,4)24-18(23)22(19)17-13-12-16(14-21-17)11-10-15-8-6-5-7-9-15/h5-9,12-14H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one?
4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-3-[5-(2-phenylethynyl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53493360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).