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

C12H16N4O2 — CID 65450165

IUPAC5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccco3)n2)CCN1
InChIInChI=1S/C12H16N4O2/c1-9-7-16(5-4-13-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyMSIRIKPHCGANLY-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.12
Rot. Bonds3

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

5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 65450165) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID65450165
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CN(Cc2noc(-c3ccco3)n2)CCN1
InChIInChI=1S/C12H16N4O2/c1-9-7-16(5-4-13-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyMSIRIKPHCGANLY-UHFFFAOYSA-N
XLogP1.12
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 63874829
5-(2-chlorophenyl)-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975780
5-methyl-3-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975565
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpiperidin-4-ol
CID 80706784
2-[1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]azetidin-3-yl]propanoic acid
CID 116684294
3-[(2,5-diethylpiperazin-1-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 64978654
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147726
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-one
CID 75539105
3-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]-5-(furan-2-yl)-1,2,4-oxadiazole
CID 66209326
1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072214
3-[[(3S)-3-methylpiperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
CID 104977337
[4-ethyl-1-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]methanamine
CID 103352935

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 65450165) is 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1CN(Cc2noc(-c3ccco3)n2)CCN1.
What is the InChIKey of 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is MSIRIKPHCGANLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-7-16(5-4-13-9)8-11-14-12(18-15-11)10-3-2-6-17-10/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 248.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(3-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 65450165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).