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

C15H16N6O3 — CID 56886211

IUPAC2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C15H16N6O3/c22-14-8-11(20-5-3-16-4-6-20)9-17-21(14)10-13-18-15(24-19-13)12-2-1-7-23-12/h1-2,7-9,16H,3-6,10H2
InChIKeyZNZWQDDPNIUKIM-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.34
Rot. Bonds4

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

2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one (PubChem CID 56886211) has the molecular formula C15H16N6O3 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
PubChem CID56886211
Molecular FormulaC15H16N6O3
Molecular Weight328.33 g/mol
Exact Mass328.13
IUPAC Name2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCNCC2)cnn1Cc1noc(-c2ccco2)n1
InChIInChI=1S/C15H16N6O3/c22-14-8-11(20-5-3-16-4-6-20)9-17-21(14)10-13-18-15(24-19-13)12-2-1-7-23-12/h1-2,7-9,16H,3-6,10H2
InChIKeyZNZWQDDPNIUKIM-UHFFFAOYSA-N
XLogP0.34
TPSA102.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The IUPAC name of 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one (CID 56886211) is 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one is O=c1cc(N2CCNCC2)cnn1Cc1noc(-c2ccco2)n1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
The InChIKey is ZNZWQDDPNIUKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3/c22-14-8-11(20-5-3-16-4-6-20)9-17-21(14)10-13-18-15(24-19-13)12-2-1-7-23-12/h1-2,7-9,16H,3-6,10H2.
What are the key properties of 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one?
2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one has a molecular weight of 328.33 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-piperazin-1-ylpyridazin-3-one is sourced from PubChem (CID 56886211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).