1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine

C25H16Cl2N2O2 — CID 171979302

About 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine

1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine (PubChem CID 171979302) has the molecular formula C25H16Cl2N2O2 and a molecular weight of 447.32 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine.

Molecular Properties

• Compound Name: 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
• PubChem CID: 171979302
• Molecular Formula: C25H16Cl2N2O2
• Molecular Weight: 447.32 g/mol
• Exact Mass: 446.06
• IUPAC Name: 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine
• SMILES: Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3)nc2c1
• InChI: InChI=1S/C25H16Cl2N2O2/c1-15-2-10-24-22(12-15)29-25(31-24)16-3-6-18(7-4-16)28-14-19-8-11-23(30-19)17-5-9-20(26)21(27)13-17/h2-14H,1H3/b28-14+
• InChIKey: JXKKEVBDPJPMMH-CCVNUDIWSA-N
• XLogP: 8.12
• TPSA: 51.53 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.32
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine?

The IUPAC name of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine (CID 171979302) is 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine.

What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine?

The canonical SMILES for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine is Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)cc3)nc2c1.

What is the InChIKey of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine?

The InChIKey is JXKKEVBDPJPMMH-CCVNUDIWSA-N. The full InChI is InChI=1S/C25H16Cl2N2O2/c1-15-2-10-24-22(12-15)29-25(31-24)16-3-6-18(7-4-16)28-14-19-8-11-23(30-19)17-5-9-20(26)21(27)13-17/h2-14H,1H3/b28-14+.

What are the key properties of 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine?

1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine has a molecular weight of 447.32 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3,4-dichlorophenyl)furan-2-yl]-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]methanimine is sourced from PubChem (CID 171979302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).