ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate

C25H28N2O4 — CID 108798152

About ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate

ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate (PubChem CID 108798152) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate.

Molecular Properties

• Compound Name: ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
• PubChem CID: 108798152
• Molecular Formula: C25H28N2O4
• Molecular Weight: 420.51 g/mol
• Exact Mass: 420.20
• IUPAC Name: ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
• SMILES: CCOC(=O)C(NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1)c1ccccc1
• InChI: InChI=1S/C25H28N2O4/c1-4-30-25(29)24(20-8-6-5-7-9-20)27-22(28)14-15-23-26-16-21(31-23)19-12-10-18(11-13-19)17(2)3/h5-13,16-17,24H,4,14-15H2,1-3H3,(H,27,28)
• InChIKey: QZLFXPAZDKQICC-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 81.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.51
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?

The IUPAC name of ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate (CID 108798152) is ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate.

What is the SMILES notation for ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?

The canonical SMILES for ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate is CCOC(=O)C(NC(=O)CCc1ncc(-c2ccc(C(C)C)cc2)o1)c1ccccc1.

What is the InChIKey of ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?

The InChIKey is QZLFXPAZDKQICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-4-30-25(29)24(20-8-6-5-7-9-20)27-22(28)14-15-23-26-16-21(31-23)19-12-10-18(11-13-19)17(2)3/h5-13,16-17,24H,4,14-15H2,1-3H3,(H,27,28).

What are the key properties of ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate?

ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate has a molecular weight of 420.51 g/mol, XLogP of 4.82, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate is sourced from PubChem (CID 108798152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).