2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

C20H18N2O5 — CID 17495957

IUPAC2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H18N2O5/c23-18(12-22-14-5-1-2-6-15(14)25-19(22)24)21-13-7-8-16-17(11-13)27-20(26-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23)
InChIKeyFIKWVJXEXXCZHI-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.27
Rot. Bonds3

About 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide

2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (PubChem CID 17495957) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
PubChem CID17495957
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C20H18N2O5/c23-18(12-22-14-5-1-2-6-15(14)25-19(22)24)21-13-7-8-16-17(11-13)27-20(26-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23)
InChIKeyFIKWVJXEXXCZHI-UHFFFAOYSA-N
XLogP3.27
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide with MolForge

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Related Compounds

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2114683
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
N-(3-hydroxyphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886705
N-dibenzofuran-3-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2961461
2-(2-oxopyrrolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17474217
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 1293188
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 2973944
methyl 2-chloro-5-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]benzoate
CID 38238411
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 17453590
N-(4-amino-3,5-dichlorophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55450997
1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 86992273
2-(methylamino)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 120703453

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The IUPAC name of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide (CID 17495957) is 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide.
What is the SMILES notation for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The canonical SMILES for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
The InChIKey is FIKWVJXEXXCZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-18(12-22-14-5-1-2-6-15(14)25-19(22)24)21-13-7-8-16-17(11-13)27-20(26-16)9-3-4-10-20/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23).
What are the key properties of 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide?
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide has a molecular weight of 366.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide is sourced from PubChem (CID 17495957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).