2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol

C17H19N3O4 — CID 111470477

IUPAC2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol
SMILESCc1nc(COc2ccc(CNC(CO)c3ccco3)cc2)no1
InChIInChI=1S/C17H19N3O4/c1-12-19-17(20-24-12)11-23-14-6-4-13(5-7-14)9-18-15(10-21)16-3-2-8-22-16/h2-8,15,18,21H,9-11H2,1H3
InChIKeyPXGUHQVEFVVSAJ-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.37
Rot. Bonds8

About 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol

2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol (PubChem CID 111470477) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol
PubChem CID111470477
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol
SMILESCc1nc(COc2ccc(CNC(CO)c3ccco3)cc2)no1
InChIInChI=1S/C17H19N3O4/c1-12-19-17(20-24-12)11-23-14-6-4-13(5-7-14)9-18-15(10-21)16-3-2-8-22-16/h2-8,15,18,21H,9-11H2,1H3
InChIKeyPXGUHQVEFVVSAJ-UHFFFAOYSA-N
XLogP2.37
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol?
The IUPAC name of 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol (CID 111470477) is 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol.
What is the SMILES notation for 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol?
The canonical SMILES for 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol is Cc1nc(COc2ccc(CNC(CO)c3ccco3)cc2)no1.
What is the InChIKey of 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol?
The InChIKey is PXGUHQVEFVVSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-12-19-17(20-24-12)11-23-14-6-4-13(5-7-14)9-18-15(10-21)16-3-2-8-22-16/h2-8,15,18,21H,9-11H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol?
2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol has a molecular weight of 329.36 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methylamino]ethanol is sourced from PubChem (CID 111470477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).