N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide

C36H28Cl2N6O4 — CID 167881802

About N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide

N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 167881802) has the molecular formula C36H28Cl2N6O4 and a molecular weight of 679.56 g/mol. Its IUPAC name is N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide
• PubChem CID: 167881802
• Molecular Formula: C36H28Cl2N6O4
• Molecular Weight: 679.56 g/mol
• Exact Mass: 678.15
• IUPAC Name: N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide
• SMILES: O=C(Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
• InChI: InChI=1S/C36H28Cl2N6O4/c37-25-10-6-9-24(19-25)31-21-39-32(48-31)22-47-30-12-5-4-11-29(30)40-34(45)35(46)43-15-17-44(18-16-43)36-41-28-14-13-26(38)20-27(28)33(42-36)23-7-2-1-3-8-23/h1-14,19-21H,15-18,22H2,(H,40,45)
• InChIKey: ZOPQSPWFYKUVKJ-UHFFFAOYSA-N
• XLogP: 7.12
• TPSA: 113.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	679.56
LogP ≤ 5	7.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide (CID 167881802) is N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide is O=C(Nc1ccccc1OCc1ncc(-c2cccc(Cl)c2)o1)C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1.

What is the InChIKey of N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide?

The InChIKey is ZOPQSPWFYKUVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28Cl2N6O4/c37-25-10-6-9-24(19-25)31-21-39-32(48-31)22-47-30-12-5-4-11-29(30)40-34(45)35(46)43-15-17-44(18-16-43)36-41-28-14-13-26(38)20-27(28)33(42-36)23-7-2-1-3-8-23/h1-14,19-21H,15-18,22H2,(H,40,45).

What are the key properties of N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide?

N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 679.56 g/mol, XLogP of 7.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methoxy]phenyl]-2-[4-(6-chloro-4-phenylquinazolin-2-yl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 167881802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).