5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

C15H22N4O2 — CID 167979387

IUPAC5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCc1coc(C(C)(C)C)c1-c1nc(N2CCNCC2)no1
InChIInChI=1S/C15H22N4O2/c1-10-9-20-12(15(2,3)4)11(10)13-17-14(18-21-13)19-7-5-16-6-8-19/h9,16H,5-8H2,1-4H3
InChIKeyCWWHTYKWPWRGDH-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.35
Rot. Bonds2

About 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole

5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (PubChem CID 167979387) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
PubChem CID167979387
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
SMILESCc1coc(C(C)(C)C)c1-c1nc(N2CCNCC2)no1
InChIInChI=1S/C15H22N4O2/c1-10-9-20-12(15(2,3)4)11(10)13-17-14(18-21-13)19-7-5-16-6-8-19/h9,16H,5-8H2,1-4H3
InChIKeyCWWHTYKWPWRGDH-UHFFFAOYSA-N
XLogP2.35
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 167966686
5-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167830642
5-(5-benzyl-1-methylpyrazol-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167879483
3-tert-butyl-5-piperazin-1-yl-1,2-oxazole
CID 116825944
3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807548
5-[1-(3,5-difluorophenoxy)-2-methoxyethyl]-3-piperazin-1-yl-1,2,4-oxadiazole
CID 167948403
5-(2,2-dimethylpropyl)-2-piperazin-1-ylpyrimidine
CID 117224212
4-[1-[5-(4-tert-butyl-2-methylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]morpholine
CID 162477851
7-(3-piperazin-1-yl-1,2,4-oxadiazol-5-yl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 167960643
1-(3,5-dimethyl-4-pyridinyl)piperazine
CID 75355584
3-pyrrolidin-1-yl-5-(2,3,5,6-tetrafluoro-4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole
CID 101107635
4-methyl-5-piperazin-1-yl-1,2-oxazole
CID 84765247

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole (CID 167979387) is 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is Cc1coc(C(C)(C)C)c1-c1nc(N2CCNCC2)no1.
What is the InChIKey of 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
The InChIKey is CWWHTYKWPWRGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-9-20-12(15(2,3)4)11(10)13-17-14(18-21-13)19-7-5-16-6-8-19/h9,16H,5-8H2,1-4H3.
What are the key properties of 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole?
5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole has a molecular weight of 290.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butyl-4-methylfuran-3-yl)-3-piperazin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167979387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).