2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile

C24H21N3O4 — CID 42587526

About 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile

2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 42587526) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
• PubChem CID: 42587526
• Molecular Formula: C24H21N3O4
• Molecular Weight: 415.45 g/mol
• Exact Mass: 415.15
• IUPAC Name: 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile
• SMILES: COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(C)cc4)o3)o2)cc1
• InChI: InChI=1S/C24H21N3O4/c1-16-3-5-17(6-4-16)14-26-23-21(13-25)27-24(31-23)22-12-11-20(30-22)15-29-19-9-7-18(28-2)8-10-19/h3-12,26H,14-15H2,1-2H3
• InChIKey: PKQMNHQBCHUKMG-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 93.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.45
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?

The IUPAC name of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile (CID 42587526) is 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile.

What is the SMILES notation for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?

The canonical SMILES for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile is COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc(C)cc4)o3)o2)cc1.

What is the InChIKey of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?

The InChIKey is PKQMNHQBCHUKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-3-5-17(6-4-16)14-26-23-21(13-25)27-24(31-23)22-12-11-20(30-22)15-29-19-9-7-18(28-2)8-10-19/h3-12,26H,14-15H2,1-2H3.

What are the key properties of 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile?

2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 415.45 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]-5-[(4-methylphenyl)methylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 42587526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).