2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole

C14H20N4O2 — CID 104975236

IUPAC2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CN3CCN[C@H](C)C3)o2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-7-18(5-4-15-9)8-13-16-17-14(20-13)12-6-10(2)19-11(12)3/h6,9,15H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyYTVYNFVYTQQMMH-SECBINFHSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds3

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

2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 104975236) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID104975236
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2nnc(CN3CCN[C@H](C)C3)o2)c(C)o1
InChIInChI=1S/C14H20N4O2/c1-9-7-18(5-4-15-9)8-13-16-17-14(20-13)12-6-10(2)19-11(12)3/h6,9,15H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChIKeyYTVYNFVYTQQMMH-SECBINFHSA-N
XLogP1.74
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 104975236) is 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(CN3CCN[C@H](C)C3)o2)c(C)o1.
What is the InChIKey of 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is YTVYNFVYTQQMMH-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-18(5-4-15-9)8-13-16-17-14(20-13)12-6-10(2)19-11(12)3/h6,9,15H,4-5,7-8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylfuran-3-yl)-5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 104975236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).