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

C20H18ClN3O2S — CID 17392897

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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 17392897) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
• PubChem CID: 17392897
• Molecular Formula: C20H18ClN3O2S
• Molecular Weight: 399.90 g/mol
• Exact Mass: 399.08
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
• SMILES: CC(c1nnc(-c2cccs2)o1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
• InChI: InChI=1S/C20H18ClN3O2S/c1-13(19-22-23-20(26-19)18-4-3-11-27-18)24(2)12-16-9-10-17(25-16)14-5-7-15(21)8-6-14/h3-11,13H,12H2,1-2H3
• InChIKey: BHZRHXHLDJZGEH-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 55.30 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.90
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 17392897) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine.

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

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is CC(c1nnc(-c2cccs2)o1)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1.

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

The InChIKey is BHZRHXHLDJZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-13(19-22-23-20(26-19)18-4-3-11-27-18)24(2)12-16-9-10-17(25-16)14-5-7-15(21)8-6-14/h3-11,13H,12H2,1-2H3.

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

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 399.90 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 17392897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).