4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

C11H12N4O3 — CID 37264714

IUPAC4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccco3)no2)CCN1
InChIInChI=1S/C11H12N4O3/c16-9-6-15(4-3-12-9)7-10-13-11(14-18-10)8-2-1-5-17-8/h1-2,5H,3-4,6-7H2,(H,12,16)
InChIKeyJSPKIIRAGYWKEH-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.26
Rot. Bonds3

About 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one

4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (PubChem CID 37264714) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
PubChem CID37264714
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccco3)no2)CCN1
InChIInChI=1S/C11H12N4O3/c16-9-6-15(4-3-12-9)7-10-13-11(14-18-10)8-2-1-5-17-8/h1-2,5H,3-4,6-7H2,(H,12,16)
InChIKeyJSPKIIRAGYWKEH-UHFFFAOYSA-N
XLogP0.26
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
CID 8962629
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 36925300
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
5-[(2,3-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 86774857
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 134019522
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
3-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 71942995
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
5-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119933216
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one (CID 37264714) is 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is O=C1CN(Cc2nc(-c3ccco3)no2)CCN1.
What is the InChIKey of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
The InChIKey is JSPKIIRAGYWKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-9-6-15(4-3-12-9)7-10-13-11(14-18-10)8-2-1-5-17-8/h1-2,5H,3-4,6-7H2,(H,12,16).
What are the key properties of 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one?
4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one has a molecular weight of 248.24 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one is sourced from PubChem (CID 37264714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).