[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium

C18H20N5O3S+ — CID 9044625

About [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium (PubChem CID 9044625) has the molecular formula C18H20N5O3S+ and a molecular weight of 386.46 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium.

Molecular Properties

• Compound Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
• PubChem CID: 9044625
• Molecular Formula: C18H20N5O3S+
• Molecular Weight: 386.46 g/mol
• Exact Mass: 386.13
• IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
• SMILES: CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1nnc(-c2cccs2)o1
• InChI: InChI=1S/C18H19N5O3S/c1-3-8-23(11-15-19-21-17(25-15)13-6-4-9-24-13)12(2)16-20-22-18(26-16)14-7-5-10-27-14/h4-7,9-10,12H,3,8,11H2,1-2H3/p+1/t12-/m1/s1
• InChIKey: JQNHMKSWWWMTQJ-GFCCVEGCSA-O
• XLogP: 3.00
• TPSA: 95.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.46
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium (CID 9044625) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium.

What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium is CCC[NH+](Cc1nnc(-c2ccco2)o1)[C@H](C)c1nnc(-c2cccs2)o1.

What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

The InChIKey is JQNHMKSWWWMTQJ-GFCCVEGCSA-O. The full InChI is InChI=1S/C18H19N5O3S/c1-3-8-23(11-15-19-21-17(25-15)13-6-4-9-24-13)12(2)16-20-22-18(26-16)14-7-5-10-27-14/h4-7,9-10,12H,3,8,11H2,1-2H3/p+1/t12-/m1/s1.

What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium?

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium has a molecular weight of 386.46 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-propyl-[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium is sourced from PubChem (CID 9044625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).