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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Related Compounds

(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(4R,6R,8R)-8-hexyl-4,6-diphenyl-4,6,7,8-tetrahydro-3H-pyrazolo[1,2-c][1,3,4]oxadiazin-1-one
CID 15468887
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
CID 11425945
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[3-(4-fluorophenyl)prop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72797044
tert-butyl (4R,7S)-1,6-dioxo-4-phenyl-4,7,8,9-tetrahydro-3H-pyridazino[1,2-c][1,3,4]oxadiazine-7-carboxylate
CID 102533701

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).