4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one

C19H28N4O2S — CID 55446960

IUPAC4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15(2)7-8-18(24)23-12-10-22(11-13-23)9-3-6-17-20-19(21-25-17)16-5-4-14-26-16/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyFUIVYQQSYDZHBX-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.31
Rot. Bonds8

About 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one

4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one (PubChem CID 55446960) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
PubChem CID55446960
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C19H28N4O2S/c1-15(2)7-8-18(24)23-12-10-22(11-13-23)9-3-6-17-20-19(21-25-17)16-5-4-14-26-16/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyFUIVYQQSYDZHBX-UHFFFAOYSA-N
XLogP3.31
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-oxo-3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55447156
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
1-[4-(2-phenylethyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 18121597
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
2-(4-chlorophenoxy)-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propan-1-one
CID 55447010
(E)-N-[1-oxo-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
CID 55461888
N,N-diethyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55603131
3-(furan-2-yl)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 30126710
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119516889
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78835620
(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55446847
N-methyl-1-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
CID 35318189

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one (CID 55446960) is 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one is CC(C)CCC(=O)N1CCN(CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one?
The InChIKey is FUIVYQQSYDZHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-15(2)7-8-18(24)23-12-10-22(11-13-23)9-3-6-17-20-19(21-25-17)16-5-4-14-26-16/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one?
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one has a molecular weight of 376.53 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 55446960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).