2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one

C13H16N2O2 — CID 117336460

IUPAC2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccccc1C1CCCN1
InChIInChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)12-6-2-1-4-10(12)11-5-3-8-14-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyBOXZBARRFYMXBB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.78
Rot. Bonds2

About 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one

2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one (PubChem CID 117336460) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
PubChem CID117336460
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccccc1C1CCCN1
InChIInChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)12-6-2-1-4-10(12)11-5-3-8-14-11/h1-2,4,6,11,14H,3,5,7-9H2
InChIKeyBOXZBARRFYMXBB-UHFFFAOYSA-N
XLogP1.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one (CID 117336460) is 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one is O=C1CCON1c1ccccc1C1CCCN1.
What is the InChIKey of 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The InChIKey is BOXZBARRFYMXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)12-6-2-1-4-10(12)11-5-3-8-14-11/h1-2,4,6,11,14H,3,5,7-9H2.
What are the key properties of 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one has a molecular weight of 232.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 117336460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).