furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone

C17H19N4O3S+ — CID 9034452

IUPACfuran-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone
SMILESC[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N4O3S/c1-12(15-18-19-16(24-15)14-5-3-11-25-14)20-6-8-21(9-7-20)17(22)13-4-2-10-23-13/h2-5,10-12H,6-9H2,1H3/p+1/t12-/m1/s1
InChIKeyNIHWIJBANCUISZ-GFCCVEGCSA-O
MW359.43 g/mol
LogP1.49
Rot. Bonds4

About furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone

furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone (PubChem CID 9034452) has the molecular formula C17H19N4O3S+ and a molecular weight of 359.43 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone
PubChem CID9034452
Molecular FormulaC17H19N4O3S+
Molecular Weight359.43 g/mol
Exact Mass359.12
IUPAC Namefuran-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone
SMILESC[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H18N4O3S/c1-12(15-18-19-16(24-15)14-5-3-11-25-14)20-6-8-21(9-7-20)17(22)13-4-2-10-23-13/h2-5,10-12H,6-9H2,1H3/p+1/t12-/m1/s1
InChIKeyNIHWIJBANCUISZ-GFCCVEGCSA-O
XLogP1.49
TPSA76.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone with MolForge

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Related Compounds

2-thiophen-2-yl-5-[(1R)-1-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole
CID 9036537
2-[(1R)-1-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9036940
2-[(1S)-1-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9028046
2-[(1R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 9028909
furan-2-yl-[(3R)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 30863498
thiophen-2-yl-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 18197702
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-propyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 37375537
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
(4-fluorophenyl)-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 36876738
N-(2,6-dimethylphenyl)-2-[4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9053867
N-tert-butyl-2-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide
CID 9131375
2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076479

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone (CID 9034452) is furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone is C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is NIHWIJBANCUISZ-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H18N4O3S/c1-12(15-18-19-16(24-15)14-5-3-11-25-14)20-6-8-21(9-7-20)17(22)13-4-2-10-23-13/h2-5,10-12H,6-9H2,1H3/p+1/t12-/m1/s1.
What are the key properties of furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone?
furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 359.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 9034452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).