2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

C19H19N5O3 — CID 50965420

IUPAC2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CCNCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H19N5O3/c25-18-9-8-15(14-5-2-1-3-6-14)22-24(18)11-10-20-13-17-21-19(23-27-17)16-7-4-12-26-16/h1-7,12,20H,8-11,13H2
InChIKeyWSSDMJYXCILPKW-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 50965420) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID50965420
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C1CCC(c2ccccc2)=NN1CCNCc1nc(-c2ccco2)no1
InChIInChI=1S/C19H19N5O3/c25-18-9-8-15(14-5-2-1-3-6-14)22-24(18)11-10-20-13-17-21-19(23-27-17)16-7-4-12-26-16/h1-7,12,20H,8-11,13H2
InChIKeyWSSDMJYXCILPKW-UHFFFAOYSA-N
XLogP2.45
TPSA96.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 50965420) is 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is O=C1CCC(c2ccccc2)=NN1CCNCc1nc(-c2ccco2)no1.
What is the InChIKey of 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is WSSDMJYXCILPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c25-18-9-8-15(14-5-2-1-3-6-14)22-24(18)11-10-20-13-17-21-19(23-27-17)16-7-4-12-26-16/h1-7,12,20H,8-11,13H2.
What are the key properties of 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 365.39 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 50965420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).