N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

C25H25N3O4 — CID 17018603

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (PubChem CID 17018603) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
• PubChem CID: 17018603
• Molecular Formula: C25H25N3O4
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.18
• IUPAC Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
• SMILES: CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
• InChI: InChI=1S/C25H25N3O4/c1-4-25(2,3)18-10-12-20(13-11-18)31-16-22(29)26-19-8-5-7-17(15-19)23-27-28-24(32-23)21-9-6-14-30-21/h5-15H,4,16H2,1-3H3,(H,26,29)
• InChIKey: RJAHFSWGCFAQDA-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?

The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide (CID 17018603) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide.

What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?

The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1.

What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?

The InChIKey is RJAHFSWGCFAQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-25(2,3)18-10-12-20(13-11-18)31-16-22(29)26-19-8-5-7-17(15-19)23-27-28-24(32-23)21-9-6-14-30-21/h5-15H,4,16H2,1-3H3,(H,26,29).

What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide?

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide has a molecular weight of 431.49 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide is sourced from PubChem (CID 17018603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).