[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

C24H22N2O6 — CID 55449311

About [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate

[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55449311) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

• Compound Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
• PubChem CID: 55449311
• Molecular Formula: C24H22N2O6
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.15
• IUPAC Name: [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
• SMILES: O=C(COC(=O)Cc1coc(-c2ccccc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2
• InChI: InChI=1S/C24H22N2O6/c27-21(25-17-8-9-19-20(12-17)32-24(31-19)10-4-5-11-24)15-29-22(28)13-18-14-30-23(26-18)16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,25,27)
• InChIKey: FCMJIWHQPKAQJD-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?

The IUPAC name of [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55449311) is [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

What is the SMILES notation for [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?

The canonical SMILES for [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is O=C(COC(=O)Cc1coc(-c2ccccc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2.

What is the InChIKey of [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?

The InChIKey is FCMJIWHQPKAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c27-21(25-17-8-9-19-20(12-17)32-24(31-19)10-4-5-11-24)15-29-22(28)13-18-14-30-23(26-18)16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13,15H2,(H,25,27).

What are the key properties of [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate?

[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 434.45 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55449311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).