2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

C24H27FN4O3 — CID 34915759

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)c(F)c1
InChIInChI=1S/C24H27FN4O3/c1-15-11-20(17(3)29(15)24-12-16(2)32-26-24)23(31)14-27-7-9-28(10-8-27)22-6-5-19(18(4)30)13-21(22)25/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyFRNCHMTVBJLXGR-UHFFFAOYSA-N
MW438.50 g/mol
LogP3.74
Rot. Bonds6

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone (PubChem CID 34915759) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
PubChem CID34915759
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)c(F)c1
InChIInChI=1S/C24H27FN4O3/c1-15-11-20(17(3)29(15)24-12-16(2)32-26-24)23(31)14-27-7-9-28(10-8-27)22-6-5-19(18(4)30)13-21(22)25/h5-6,11-13H,7-10,14H2,1-4H3
InChIKeyFRNCHMTVBJLXGR-UHFFFAOYSA-N
XLogP3.74
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 26383568
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone
CID 37408150
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 8621485
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 136512574
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-(4-fluorophenyl)sulfanylethanone
CID 2672240
1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 45017241
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 26383070
1-[4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 51244446
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544771
1-[4-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 18131468

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone (CID 34915759) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone is CC(=O)c1ccc(N2CCN(CC(=O)c3cc(C)n(-c4cc(C)on4)c3C)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone?
The InChIKey is FRNCHMTVBJLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15-11-20(17(3)29(15)24-12-16(2)32-26-24)23(31)14-27-7-9-28(10-8-27)22-6-5-19(18(4)30)13-21(22)25/h5-6,11-13H,7-10,14H2,1-4H3.
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone has a molecular weight of 438.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]ethanone is sourced from PubChem (CID 34915759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).