5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C18H20N4O2S — CID 38125111

IUPAC5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1
InChIInChI=1S/C18H20N4O2S/c1-23-15-5-2-4-14(12-15)22-9-7-21(8-10-22)13-17-19-18(20-24-17)16-6-3-11-25-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKBYGNSKQBOVKRC-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.13
Rot. Bonds5

About 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 38125111) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID38125111
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCOc1cccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1
InChIInChI=1S/C18H20N4O2S/c1-23-15-5-2-4-14(12-15)22-9-7-21(8-10-22)13-17-19-18(20-24-17)16-6-3-11-25-16/h2-6,11-12H,7-10,13H2,1H3
InChIKeyKBYGNSKQBOVKRC-UHFFFAOYSA-N
XLogP3.13
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 46923403
(2-fluoro-4-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 25488892
2-(4-methoxyphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]propan-1-one
CID 55518538
3-propan-2-yl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 43048660
5-[[2-methyl-4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 55627333
5-[[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78836560
[3-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752607
(5S)-3-phenyl-5-[[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 97317998
5-[[4-(piperidin-4-ylmethyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 120847602
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 24610009

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 38125111) is 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is COc1cccc(N2CCN(Cc3nc(-c4cccs4)no3)CC2)c1.
What is the InChIKey of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KBYGNSKQBOVKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-23-15-5-2-4-14(12-15)22-9-7-21(8-10-22)13-17-19-18(20-24-17)16-6-3-11-25-16/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 356.45 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 38125111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).