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

C19H23N4O3+ — CID 9254483

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

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (PubChem CID 9254483) has the molecular formula C19H23N4O3+ and a molecular weight of 355.42 g/mol. Its IUPAC name is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

• Compound Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
• PubChem CID: 9254483
• Molecular Formula: C19H23N4O3+
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.18
• IUPAC Name: [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
• SMILES: Cc1ccc(NC(=O)C[NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1
• InChI: InChI=1S/C19H22N4O3/c1-12-5-7-15(8-6-12)20-17(24)10-23(4)11-18-21-22-19(26-18)16-9-13(2)25-14(16)3/h5-9H,10-11H2,1-4H3,(H,20,24)/p+1
• InChIKey: OINKUABIRMTGPO-UHFFFAOYSA-O
• XLogP: 1.91
• TPSA: 85.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?

The IUPAC name of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium (CID 9254483) is [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium.

What is the SMILES notation for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?

The canonical SMILES for [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is Cc1ccc(NC(=O)C[NH+](C)Cc2nnc(-c3cc(C)oc3C)o2)cc1.

What is the InChIKey of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?

The InChIKey is OINKUABIRMTGPO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O3/c1-12-5-7-15(8-6-12)20-17(24)10-23(4)11-18-21-22-19(26-18)16-9-13(2)25-14(16)3/h5-9H,10-11H2,1-4H3,(H,20,24)/p+1.

What are the key properties of [5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium?

[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium has a molecular weight of 355.42 g/mol, XLogP of 1.91, 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-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9254483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).