2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane

C29H28N4O4 — CID 158962693

About 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane

2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane (PubChem CID 158962693) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane.

Molecular Properties

• Compound Name: 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane
• PubChem CID: 158962693
• Molecular Formula: C29H28N4O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.21
• IUPAC Name: 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane
• SMILES: C.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC(=O)C(=[N+]=[N-])C(=O)Nc2ccccc2)c1
• InChI: InChI=1S/C28H24N4O4.CH4/c1-19-24(31-28(36-19)21-10-4-2-5-11-21)15-16-35-23-14-8-9-20(17-23)18-25(33)26(32-29)27(34)30-22-12-6-3-7-13-22;/h2-14,17H,15-16,18H2,1H3,(H,30,34);1H4
• InChIKey: JMUXYNYOSOMWCG-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 117.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane?

The IUPAC name of 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane (CID 158962693) is 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane.

What is the SMILES notation for 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane?

The canonical SMILES for 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane is C.Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC(=O)C(=[N+]=[N-])C(=O)Nc2ccccc2)c1.

What is the InChIKey of 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane?

The InChIKey is JMUXYNYOSOMWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O4.CH4/c1-19-24(31-28(36-19)21-10-4-2-5-11-21)15-16-35-23-14-8-9-20(17-23)18-25(33)26(32-29)27(34)30-22-12-6-3-7-13-22;/h2-14,17H,15-16,18H2,1H3,(H,30,34);1H4.

What are the key properties of 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane?

2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane has a molecular weight of 496.57 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-diazo-4-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-3-oxo-N-phenylbutanamide;methane is sourced from PubChem (CID 158962693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).