2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one

C13H16N2O2 — CID 117336462

IUPAC2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)11-5-3-10(4-6-11)12-2-1-8-14-12/h3-6,12,14H,1-2,7-9H2
InChIKeyJEZKFGCLLORUCG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.78
Rot. Bonds2

About 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one

2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one (PubChem CID 117336462) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
PubChem CID117336462
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
SMILESO=C1CCON1c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)11-5-3-10(4-6-11)12-2-1-8-14-12/h3-6,12,14H,1-2,7-9H2
InChIKeyJEZKFGCLLORUCG-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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Related Compounds

2-(2-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one
CID 117336460
1-(4-pyrrolidin-2-ylphenyl)pyrrolidine;hydrochloride
CID 163230247
1-methyl-4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117402552
4-(4-pyrrolidin-2-ylphenyl)piperazin-2-one
CID 117365564
5-chloro-1-(4-pyrrolidin-2-ylphenyl)pyrazole
CID 117372547
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1-propan-2-yl-3-(4-pyrrolidin-2-ylphenyl)imidazol-2-one
CID 117431461
2-[4-(5-bromopyrazol-1-yl)phenyl]piperidine
CID 117491380
3-(4-piperidin-2-ylphenyl)-1H-imidazol-2-one
CID 117360253
2-[4-(aminooxymethyl)phenyl]-1,2-oxazolidin-3-one
CID 117297320
1-methyl-6-pyrrolidin-2-yl-3,4-dihydroquinolin-2-one
CID 82288921

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The IUPAC name of 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one (CID 117336462) is 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one is O=C1CCON1c1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
The InChIKey is JEZKFGCLLORUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13-7-9-17-15(13)11-5-3-10(4-6-11)12-2-1-8-14-12/h3-6,12,14H,1-2,7-9H2.
What are the key properties of 2-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one?
2-(4-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-(4-pyrrolidin-2-ylphenyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 117336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).