Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate

C₂₀H₁₉N₃O₄ — CID 108812805

About Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate

Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate (PubChem CID 108812805) has the molecular formula C₂₀H₁₉N₃O₄ and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate.

Molecular Properties

• Compound Name: Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
• PubChem CID: 108812805
• Molecular Formula: C₂₀H₁₉N₃O₄
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.14
• IUPAC Name: ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate
• SMILES: CCOC(=O)c1ccc(CNC(=O)Nc2cc(-c3ccccc3)on2)cc1
• InChI: InChI=1S/C20H19N3O4/c1-2-26-19(24)16-10-8-14(9-11-16)13-21-20(25)22-18-12-17(27-23-18)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,21,22,23,25)
• InChIKey: WHHFTTWHTFLNKV-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 93.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?

The IUPAC name of Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate (CID 108812805) is ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate.

What is the SMILES notation for Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?

The canonical SMILES for Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate is CCOC(=O)c1ccc(CNC(=O)Nc2cc(-c3ccccc3)on2)cc1.

What is the InChIKey of Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?

The InChIKey is WHHFTTWHTFLNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-26-19(24)16-10-8-14(9-11-16)13-21-20(25)22-18-12-17(27-23-18)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H2,21,22,23,25).

What are the key properties of Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate?

Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-[[(5-phenyl-1,2-oxazol-3-yl)carbamoylamino]methyl]benzoate is sourced from PubChem (CID 108812805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108812805 — identifiers, structure, computed properties (public domain)

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