1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone

C20H20FN3O2S — CID 26384632

IUPAC1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-14(25)15-4-5-18(17(21)11-15)24-8-6-23(7-9-24)12-16-13-26-20(22-16)19-3-2-10-27-19/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyVGNCAHDEEBFWLR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.07
Rot. Bonds5

About 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone

1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 26384632) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID26384632
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC Name1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)c(F)c1
InChIInChI=1S/C20H20FN3O2S/c1-14(25)15-4-5-18(17(21)11-15)24-8-6-23(7-9-24)12-16-13-26-20(22-16)19-3-2-10-27-19/h2-5,10-11,13H,6-9,12H2,1H3
InChIKeyVGNCAHDEEBFWLR-UHFFFAOYSA-N
XLogP4.07
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 46807668
1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
CID 34181776
2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 29484382
1-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 51244446
4-(2-fluorophenyl)-N'-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboximidamide
CID 111148715
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
1-[4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18131468
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
1-[3-methoxy-4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]phenyl]ethanone
CID 26054578
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920709
N-(2-chlorophenyl)-2-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 9117427
methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
CID 26382410

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone (CID 26384632) is 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is VGNCAHDEEBFWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-14(25)15-4-5-18(17(21)11-15)24-8-6-23(7-9-24)12-16-13-26-20(22-16)19-3-2-10-27-19/h2-5,10-11,13H,6-9,12H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone?
1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 385.46 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 26384632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).