ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate

C26H28N2O5 — CID 67523542

About ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate

ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate (PubChem CID 67523542) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
• PubChem CID: 67523542
• Molecular Formula: C26H28N2O5
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.20
• IUPAC Name: ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate
• SMILES: CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCC3CC3)cc2)cc1
• InChI: InChI=1S/C26H28N2O5/c1-3-31-23(29)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)25-24(17(2)28-33-25)27-26(30)32-15-14-18-4-5-18/h6-13,18H,3-5,14-16H2,1-2H3,(H,27,30)
• InChIKey: IAFACRAANZQPMZ-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 90.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate (CID 67523542) is ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate.

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

The canonical SMILES for ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate is CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCC3CC3)cc2)cc1.

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

The InChIKey is IAFACRAANZQPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-3-31-23(29)16-19-6-8-20(9-7-19)21-10-12-22(13-11-21)25-24(17(2)28-33-25)27-26(30)32-15-14-18-4-5-18/h6-13,18H,3-5,14-16H2,1-2H3,(H,27,30).

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

ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate has a molecular weight of 448.52 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[4-[4-(2-cyclopropylethoxycarbonylamino)-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]acetate is sourced from PubChem (CID 67523542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).