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

C16H19FN4O2 — CID 110665148

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-16(23-14)21-9-7-20(8-10-21)15(22)11-12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3
InChIKeyQXCPLVKTNOZAJJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.66
Rot. Bonds4

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

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (PubChem CID 110665148) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
PubChem CID110665148
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
SMILESCCc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-2-14-18-19-16(23-14)21-9-7-20(8-10-21)15(22)11-12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3
InChIKeyQXCPLVKTNOZAJJ-UHFFFAOYSA-N
XLogP1.66
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867
(E)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylprop-2-en-1-one
CID 110417316
2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419820
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
CID 110610777
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
2-(2-fluorophenyl)-1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122336125
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone (CID 110665148) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is CCc1nnc(N2CCN(C(=O)Cc3ccccc3F)CC2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
The InChIKey is QXCPLVKTNOZAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-2-14-18-19-16(23-14)21-9-7-20(8-10-21)15(22)11-12-5-3-4-6-13(12)17/h3-6H,2,7-11H2,1H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone has a molecular weight of 318.35 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 110665148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).