(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine

C18H23N3O3 — CID 97353548

About (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine

(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 97353548) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

• Compound Name: (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
• PubChem CID: 97353548
• Molecular Formula: C18H23N3O3
• Molecular Weight: 329.40 g/mol
• Exact Mass: 329.17
• IUPAC Name: (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine
• SMILES: CCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1
• InChI: InChI=1S/C18H23N3O3/c1-6-16-20-21-18(24-16)12(4)19-11(3)17-10(2)14-9-13(22-5)7-8-15(14)23-17/h7-9,11-12,19H,6H2,1-5H3/t11-,12-/m0/s1
• InChIKey: IHYNLKUXOTZSAR-RYUDHWBXSA-N
• XLogP: 4.11
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.40
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?

The IUPAC name of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine (CID 97353548) is (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine.

What is the SMILES notation for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?

The canonical SMILES for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine is CCc1nnc([C@H](C)N[C@@H](C)c2oc3ccc(OC)cc3c2C)o1.

What is the InChIKey of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?

The InChIKey is IHYNLKUXOTZSAR-RYUDHWBXSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-6-16-20-21-18(24-16)12(4)19-11(3)17-10(2)14-9-13(22-5)7-8-15(14)23-17/h7-9,11-12,19H,6H2,1-5H3/t11-,12-/m0/s1.

What are the key properties of (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine?

(1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 329.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-N-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 97353548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).