2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone

C21H21FN4O2 — CID 53033532

IUPAC2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)Cc4cccc(F)c4)CC3)cc2)no1
InChIInChI=1S/C21H21FN4O2/c1-15-23-21(24-28-15)17-5-7-19(8-6-17)25-9-11-26(12-10-25)20(27)14-16-3-2-4-18(22)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyOLLWMOIFTIJXRE-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.08
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone

2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 53033532) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID53033532
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
SMILESCc1nc(-c2ccc(N3CCN(C(=O)Cc4cccc(F)c4)CC3)cc2)no1
InChIInChI=1S/C21H21FN4O2/c1-15-23-21(24-28-15)17-5-7-19(8-6-17)25-9-11-26(12-10-25)20(27)14-16-3-2-4-18(22)13-16/h2-8,13H,9-12,14H2,1H3
InChIKeyOLLWMOIFTIJXRE-UHFFFAOYSA-N
XLogP3.08
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-methoxyphenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 53041871
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53033606
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113075538
2-(3-fluorophenyl)-1-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 53172785
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791
2-(3-fluorophenyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 53032675
5-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 50769361
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
2-(4-chlorophenoxy)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone
CID 52998844
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 71821703
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
3-fluoro-N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057923

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone (CID 53033532) is 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone is Cc1nc(-c2ccc(N3CCN(C(=O)Cc4cccc(F)c4)CC3)cc2)no1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is OLLWMOIFTIJXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-23-21(24-28-15)17-5-7-19(8-6-17)25-9-11-26(12-10-25)20(27)14-16-3-2-4-18(22)13-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone?
2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 380.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 53033532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).