1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine

C15H19N3O2 — CID 106391529

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine (PubChem CID 106391529) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
• PubChem CID: 106391529
• Molecular Formula: C15H19N3O2
• Molecular Weight: 273.34 g/mol
• Exact Mass: 273.15
• IUPAC Name: 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
• SMILES: CCC(NCc1noc(C)n1)c1ccc2c(c1)CCO2
• InChI: InChI=1S/C15H19N3O2/c1-3-13(16-9-15-17-10(2)20-18-15)11-4-5-14-12(8-11)6-7-19-14/h4-5,8,13,16H,3,6-7,9H2,1-2H3
• InChIKey: ZUNLPLFPODBVEW-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 60.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.34
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?

The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine (CID 106391529) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine.

What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?

The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine is CCC(NCc1noc(C)n1)c1ccc2c(c1)CCO2.

What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?

The InChIKey is ZUNLPLFPODBVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-13(16-9-15-17-10(2)20-18-15)11-4-5-14-12(8-11)6-7-19-14/h4-5,8,13,16H,3,6-7,9H2,1-2H3.

What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine?

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 106391529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).