4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one

C13H17N3O2 — CID 22291162

IUPAC4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1N1CCNCC1
InChIInChI=1S/C13H17N3O2/c17-13-16(15-8-6-14-7-9-15)12(10-18-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyZRGPWVWQBBILNM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.00
Rot. Bonds2

About 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one

4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one (PubChem CID 22291162) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
PubChem CID22291162
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2ccccc2)N1N1CCNCC1
InChIInChI=1S/C13H17N3O2/c17-13-16(15-8-6-14-7-9-15)12(10-18-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyZRGPWVWQBBILNM-UHFFFAOYSA-N
XLogP1.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one (CID 22291162) is 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one is O=C1OCC(c2ccccc2)N1N1CCNCC1.
What is the InChIKey of 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one?
The InChIKey is ZRGPWVWQBBILNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13-16(15-8-6-14-7-9-15)12(10-18-13)11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
What are the key properties of 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one?
4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22291162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).