2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C17H20N6O2 — CID 9254230

IUPAC2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CN3CCN(c4ncccn4)CC3)o2)c(C)o1
InChIInChI=1S/C17H20N6O2/c1-12-10-14(13(2)24-12)16-21-20-15(25-16)11-22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5,10H,6-9,11H2,1-2H3
InChIKeyZKSPEPYRRYVMFX-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.06
Rot. Bonds4

About 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 9254230) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID9254230
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CN3CCN(c4ncccn4)CC3)o2)c(C)o1
InChIInChI=1S/C17H20N6O2/c1-12-10-14(13(2)24-12)16-21-20-15(25-16)11-22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5,10H,6-9,11H2,1-2H3
InChIKeyZKSPEPYRRYVMFX-UHFFFAOYSA-N
XLogP2.06
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-chlorophenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8541889
2-(2,5-dimethylfuran-3-yl)-5-[(3-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 65449038
2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 104975236
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435389
7-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 167763662
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711267
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazole
CID 43513417
2-(2-chlorophenyl)-5-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 18088347
2-[[4-(4-methyl-1,2,5-oxadiazol-3-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 172671471
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 22432453
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 15990244
2-methyl-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3,4-thiadiazole
CID 118773241

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 9254230) is 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(CN3CCN(c4ncccn4)CC3)o2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZKSPEPYRRYVMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-10-14(13(2)24-12)16-21-20-15(25-16)11-22-6-8-23(9-7-22)17-18-4-3-5-19-17/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 340.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 9254230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).