3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one

C10H8N2O2 — CID 69085657

IUPAC3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1cccnc1
InChIInChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)5-3-9-2-1-4-11-8-9/h1-2,4,8H,6-7H2
InChIKeySROWWPAKRAAUCX-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.84
Rot. Bonds

About 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one

3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one (PubChem CID 69085657) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one
PubChem CID69085657
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1cccnc1
InChIInChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)5-3-9-2-1-4-11-8-9/h1-2,4,8H,6-7H2
InChIKeySROWWPAKRAAUCX-UHFFFAOYSA-N
XLogP0.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.84
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-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one (CID 69085657) is 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one is O=C1OCCN1C#Cc1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one?
The InChIKey is SROWWPAKRAAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10-12(6-7-14-10)5-3-9-2-1-4-11-8-9/h1-2,4,8H,6-7H2.
What are the key properties of 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one?
3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one has a molecular weight of 188.19 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69085657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).