3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one

C13H16FN3O2 — CID 20785452

IUPAC3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H16FN3O2/c14-11-9-10(17-7-8-19-13(17)18)1-2-12(11)16-5-3-15-4-6-16/h1-2,9,15H,3-8H2
InChIKeyRIODZOKLWXDXGP-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.19
Rot. Bonds2

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

3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one (PubChem CID 20785452) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
PubChem CID20785452
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(N2CCNCC2)c(F)c1
InChIInChI=1S/C13H16FN3O2/c14-11-9-10(17-7-8-19-13(17)18)1-2-12(11)16-5-3-15-4-6-16/h1-2,9,15H,3-8H2
InChIKeyRIODZOKLWXDXGP-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 22509418
(5S)-5-(aminomethyl)-3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one;formaldehyde
CID 91132691
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
CID 139681959
2-(3-fluoro-4-piperazin-1-ylphenyl)oxazinane
CID 142959102
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
4-(3-fluoro-4-piperazin-1-ylphenyl)-1,4-thiazinane 1-oxide
CID 135346960
1-(4-chloro-2-fluorophenyl)piperazine
CID 2783123
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one (CID 20785452) is 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(N2CCNCC2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is RIODZOKLWXDXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c14-11-9-10(17-7-8-19-13(17)18)1-2-12(11)16-5-3-15-4-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one?
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 265.29 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 20785452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).