1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C17H15N3O3S — CID 24534529

About 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 24534529) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
• PubChem CID: 24534529
• Molecular Formula: C17H15N3O3S
• Molecular Weight: 341.39 g/mol
• Exact Mass: 341.08
• IUPAC Name: 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
• SMILES: c1coc(CN(Cc2ccco2)Cc2nc(-c3ccsc3)no2)c1
• InChI: InChI=1S/C17H15N3O3S/c1-3-14(21-6-1)9-20(10-15-4-2-7-22-15)11-16-18-17(19-23-16)13-5-8-24-12-13/h1-8,12H,9-11H2
• InChIKey: UWTWWYZBVPAYKC-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 68.44 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.39
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The IUPAC name of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 24534529) is 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

What is the SMILES notation for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The canonical SMILES for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1coc(CN(Cc2ccco2)Cc2nc(-c3ccsc3)no2)c1.

What is the InChIKey of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The InChIKey is UWTWWYZBVPAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-3-14(21-6-1)9-20(10-15-4-2-7-22-15)11-16-18-17(19-23-16)13-5-8-24-12-13/h1-8,12H,9-11H2.

What are the key properties of 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 341.39 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 24534529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).