2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

C23H21N3O5 — CID 19328575

About 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide

2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (PubChem CID 19328575) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• PubChem CID: 19328575
• Molecular Formula: C23H21N3O5
• Molecular Weight: 419.44 g/mol
• Exact Mass: 419.15
• IUPAC Name: 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
• SMILES: Cc1cccc(C)c1OCc1ccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)o1
• InChI: InChI=1S/C23H21N3O5/c1-14-4-3-5-15(2)21(14)29-12-18-10-11-19(30-18)23-25-22(26-31-23)16-6-8-17(9-7-16)28-13-20(24)27/h3-11H,12-13H2,1-2H3,(H2,24,27)
• InChIKey: ZWQVXVBSRIWRAZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 113.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.44
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?

The IUPAC name of 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide (CID 19328575) is 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide.

What is the SMILES notation for 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?

The canonical SMILES for 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is Cc1cccc(C)c1OCc1ccc(-c2nc(-c3ccc(OCC(N)=O)cc3)no2)o1.

What is the InChIKey of 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?

The InChIKey is ZWQVXVBSRIWRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-14-4-3-5-15(2)21(14)29-12-18-10-11-19(30-18)23-25-22(26-31-23)16-6-8-17(9-7-16)28-13-20(24)27/h3-11H,12-13H2,1-2H3,(H2,24,27).

What are the key properties of 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide?

2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide has a molecular weight of 419.44 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[5-[(2,6-dimethylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]acetamide is sourced from PubChem (CID 19328575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).