1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione

C17H22N4O3S — CID 110617483

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
SMILESCCc1nnc(N2CCN(C(=O)CCCC(=O)c3cccs3)CC2)o1
InChIInChI=1S/C17H22N4O3S/c1-2-15-18-19-17(24-15)21-10-8-20(9-11-21)16(23)7-3-5-13(22)14-6-4-12-25-14/h4,6,12H,2-3,5,7-11H2,1H3
InChIKeyQJUZAZWLYLEQPI-UHFFFAOYSA-N
MW362.46 g/mol
LogP2.40
Rot. Bonds7

About 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione (PubChem CID 110617483) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
PubChem CID110617483
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
SMILESCCc1nnc(N2CCN(C(=O)CCCC(=O)c3cccs3)CC2)o1
InChIInChI=1S/C17H22N4O3S/c1-2-15-18-19-17(24-15)21-10-8-20(9-11-21)16(23)7-3-5-13(22)14-6-4-12-25-14/h4,6,12H,2-3,5,7-11H2,1H3
InChIKeyQJUZAZWLYLEQPI-UHFFFAOYSA-N
XLogP2.40
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
3-(1,3-benzodioxol-5-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419876
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
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]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
methyl 4-(4-oxo-4-thiophen-2-ylbutanoyl)piperazine-1-carboxylate
CID 110346802
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 110603034
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione
CID 55470357

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione (CID 110617483) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione is CCc1nnc(N2CCN(C(=O)CCCC(=O)c3cccs3)CC2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione?
The InChIKey is QJUZAZWLYLEQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-2-15-18-19-17(24-15)21-10-8-20(9-11-21)16(23)7-3-5-13(22)14-6-4-12-25-14/h4,6,12H,2-3,5,7-11H2,1H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione has a molecular weight of 362.46 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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]-5-thiophen-2-ylpentane-1,5-dione is sourced from PubChem (CID 110617483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).