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

C16H19FN4O2 — CID 110419586

IUPAC3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-12-18-19-16(23-12)21-10-8-20(9-11-21)15(22)7-4-13-2-5-14(17)6-3-13/h2-3,5-6H,4,7-11H2,1H3
InChIKeyFYDJTIUHNAYOBF-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.80
Rot. Bonds4

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

3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110419586) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110419586
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1nnc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)o1
InChIInChI=1S/C16H19FN4O2/c1-12-18-19-16(23-12)21-10-8-20(9-11-21)15(22)7-4-13-2-5-14(17)6-3-13/h2-3,5-6H,4,7-11H2,1H3
InChIKeyFYDJTIUHNAYOBF-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419085
1-(4-fluorophenyl)-4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417236
4-(4-tert-butylphenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 110419621
3-(4-methylphenyl)-1-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110617506
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 110396163
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 110665105
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110665106
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
N-[2-(4-tert-butylphenyl)ethyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110617440

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110419586) is 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is Cc1nnc(N2CCN(C(=O)CCc3ccc(F)cc3)CC2)o1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is FYDJTIUHNAYOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-12-18-19-16(23-12)21-10-8-20(9-11-21)15(22)7-4-13-2-5-14(17)6-3-13/h2-3,5-6H,4,7-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 318.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110419586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).