N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C22H23N3O4 — CID 39978745

About N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 39978745) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 39978745
• Molecular Formula: C22H23N3O4
• Molecular Weight: 393.44 g/mol
• Exact Mass: 393.17
• IUPAC Name: N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: CCOc1cc2c(cc1NC(=O)CCc1nnc(-c3ccccc3)o1)O[C@H](C)C2
• InChI: InChI=1S/C22H23N3O4/c1-3-27-19-12-16-11-14(2)28-18(16)13-17(19)23-20(26)9-10-21-24-25-22(29-21)15-7-5-4-6-8-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,23,26)/t14-/m1/s1
• InChIKey: OSEHKJKLTRWNBB-CQSZACIVSA-N
• XLogP: 4.03
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.44
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 39978745) is N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CCOc1cc2c(cc1NC(=O)CCc1nnc(-c3ccccc3)o1)O[C@H](C)C2.

What is the InChIKey of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is OSEHKJKLTRWNBB-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-27-19-12-16-11-14(2)28-18(16)13-17(19)23-20(26)9-10-21-24-25-22(29-21)15-7-5-4-6-8-15/h4-8,12-14H,3,9-11H2,1-2H3,(H,23,26)/t14-/m1/s1.

What are the key properties of N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 393.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 39978745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).