2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide

C18H19FN4O3 — CID 9254994

IUPAC2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(CN(C)CC(=O)Nc3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C18H19FN4O3/c1-11-7-15(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-14-6-4-5-13(19)8-14/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyQBOQREPVJJPBDQ-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.16
Rot. Bonds6

About 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide

2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (PubChem CID 9254994) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
PubChem CID9254994
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
SMILESCc1cc(-c2nnc(CN(C)CC(=O)Nc3cccc(F)c3)o2)c(C)o1
InChIInChI=1S/C18H19FN4O3/c1-11-7-15(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-14-6-4-5-13(19)8-14/h4-8H,9-10H2,1-3H3,(H,20,24)
InChIKeyQBOQREPVJJPBDQ-UHFFFAOYSA-N
XLogP3.16
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide (CID 9254994) is 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is Cc1cc(-c2nnc(CN(C)CC(=O)Nc3cccc(F)c3)o2)c(C)o1.
What is the InChIKey of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
The InChIKey is QBOQREPVJJPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-11-7-15(12(2)25-11)18-22-21-17(26-18)10-23(3)9-16(24)20-14-6-4-5-13(19)8-14/h4-8H,9-10H2,1-3H3,(H,20,24).
What are the key properties of 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide?
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide has a molecular weight of 358.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9254994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).