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

C24H20ClN3O3 — CID 44616185

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

5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (PubChem CID 44616185) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
• PubChem CID: 44616185
• Molecular Formula: C24H20ClN3O3
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.12
• IUPAC Name: 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile
• SMILES: Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1C
• InChI: InChI=1S/C24H20ClN3O3/c1-15-7-8-18(11-16(15)2)29-14-19-9-10-22(30-19)24-28-21(12-26)23(31-24)27-13-17-5-3-4-6-20(17)25/h3-11,27H,13-14H2,1-2H3
• InChIKey: YLTQUPRZTYJZPP-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 84.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile (CID 44616185) is 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile.

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

The canonical SMILES for 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1C.

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

The InChIKey is YLTQUPRZTYJZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-15-7-8-18(11-16(15)2)29-14-19-9-10-22(30-19)24-28-21(12-26)23(31-24)27-13-17-5-3-4-6-20(17)25/h3-11,27H,13-14H2,1-2H3.

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

5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile has a molecular weight of 433.90 g/mol, XLogP of 6.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chlorophenyl)methylamino]-2-[5-[(3,4-dimethylphenoxy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 44616185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).