[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

C18H20FN4O3+ — CID 9254993

IUPAC[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCc1cc(-c2nnc(C[NH+](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)/p+1
InChIKeyQBOQREPVJJPBDQ-UHFFFAOYSA-O
MW359.38 g/mol
LogP1.74
Rot. Bonds6

About [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (PubChem CID 9254993) has the molecular formula C18H20FN4O3+ and a molecular weight of 359.38 g/mol. Its IUPAC name is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
PubChem CID9254993
Molecular FormulaC18H20FN4O3+
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
SMILESCc1cc(-c2nnc(C[NH+](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)/p+1
InChIKeyQBOQREPVJJPBDQ-UHFFFAOYSA-O
XLogP1.74
TPSA85.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium 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 [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium (CID 9254993) is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is Cc1cc(-c2nnc(C[NH+](C)CC(=O)Nc3cccc(F)c3)o2)c(C)o1.
What is the InChIKey of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
The InChIKey is QBOQREPVJJPBDQ-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium?
[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium has a molecular weight of 359.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9254993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).