N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide

C23H21N3O3 — CID 17360862

About N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide (PubChem CID 17360862) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

• Compound Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide
• PubChem CID: 17360862
• Molecular Formula: C23H21N3O3
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.16
• IUPAC Name: N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide
• SMILES: Cc1ccc(CCCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
• InChI: InChI=1S/C23H21N3O3/c1-16-10-12-17(13-11-16)5-2-9-21(27)24-19-7-3-6-18(15-19)22-25-26-23(29-22)20-8-4-14-28-20/h3-4,6-8,10-15H,2,5,9H2,1H3,(H,24,27)
• InChIKey: RCFKTUDXAHYVFT-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide (CID 17360862) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide.

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

The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide is Cc1ccc(CCCC(=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]-4-(4-methylphenyl)butanamide?

The InChIKey is RCFKTUDXAHYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-10-12-17(13-11-16)5-2-9-21(27)24-19-7-3-6-18(15-19)22-25-26-23(29-22)20-8-4-14-28-20/h3-4,6-8,10-15H,2,5,9H2,1H3,(H,24,27).

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-4-(4-methylphenyl)butanamide has a molecular weight of 387.44 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 17360862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).