3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid

C17H19F4N3O5 — CID 154887572

IUPAC3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCOC1=O)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3O3.C2HF3O2/c16-12-3-1-2-4-13(12)17-5-7-18(8-6-17)14(20)11-19-9-10-22-15(19)21;3-2(4,5)1(6)7/h1-4H,5-11H2;(H,6,7)
InChIKeyGNKAXLYKUFLNRM-UHFFFAOYSA-N
MW421.35 g/mol
LogP1.56
Rot. Bonds3

About 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 154887572) has the molecular formula C17H19F4N3O5 and a molecular weight of 421.35 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID154887572
Molecular FormulaC17H19F4N3O5
Molecular Weight421.35 g/mol
Exact Mass421.13
IUPAC Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
SMILESO=C(CN1CCOC1=O)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3O3.C2HF3O2/c16-12-3-1-2-4-13(12)17-5-7-18(8-6-17)14(20)11-19-9-10-22-15(19)21;3-2(4,5)1(6)7/h1-4H,5-11H2;(H,6,7)
InChIKeyGNKAXLYKUFLNRM-UHFFFAOYSA-N
XLogP1.56
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30147887
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 122334428
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2-oxa-7-azaspiro[3.4]octan-7-yl)ethanone
CID 167790420
3-[2-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 42213904
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 70770021
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 25343856

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid (CID 154887572) is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid is O=C(CN1CCOC1=O)N1CCN(c2ccccc2F)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is GNKAXLYKUFLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O3.C2HF3O2/c16-12-3-1-2-4-13(12)17-5-7-18(8-6-17)14(20)11-19-9-10-22-15(19)21;3-2(4,5)1(6)7/h1-4H,5-11H2;(H,6,7).
What are the key properties of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid?
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 421.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).