N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide

C30H28N4O6 — CID 20766530

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide (PubChem CID 20766530) has the molecular formula C30H28N4O6 and a molecular weight of 540.58 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide.

Molecular Properties

• Compound Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
• PubChem CID: 20766530
• Molecular Formula: C30H28N4O6
• Molecular Weight: 540.58 g/mol
• Exact Mass: 540.20
• IUPAC Name: N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide
• SMILES: COc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)C(=O)c3ccccc3)cc2)ccc1-c1cnco1
• InChI: InChI=1S/C30H28N4O6/c1-30(2,16-19-9-11-21(12-10-19)32-27(36)26(35)20-7-5-4-6-8-20)34-29(38)28(37)33-22-13-14-23(24(15-22)39-3)25-17-31-18-40-25/h4-15,17-18H,16H2,1-3H3,(H,32,36)(H,33,37)(H,34,38)
• InChIKey: VIAQILWLOOPOPI-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 139.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.58
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide?

The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide (CID 20766530) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide.

What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide?

The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide is COc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)C(=O)c3ccccc3)cc2)ccc1-c1cnco1.

What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide?

The InChIKey is VIAQILWLOOPOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O6/c1-30(2,16-19-9-11-21(12-10-19)32-27(36)26(35)20-7-5-4-6-8-20)34-29(38)28(37)33-22-13-14-23(24(15-22)39-3)25-17-31-18-40-25/h4-15,17-18H,16H2,1-3H3,(H,32,36)(H,33,37)(H,34,38).

What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide?

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide has a molecular weight of 540.58 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N'-[2-methyl-1-[4-[(2-oxo-2-phenylacetyl)amino]phenyl]propan-2-yl]oxamide is sourced from PubChem (CID 20766530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).