1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C20H16N2O6 — CID 68600551

IUPAC1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1NCC(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)O1
InChIInChI=1S/C20H16N2O6/c23-18-20(9-25-15-6-17-16(5-13(15)20)26-10-27-17)12-3-1-2-4-14(12)22(18)8-11-7-21-19(24)28-11/h1-6,11H,7-10H2,(H,21,24)
InChIKeyRKRCRTTYYSXKFX-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.55
Rot. Bonds2

About 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 68600551) has the molecular formula C20H16N2O6 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID68600551
Molecular FormulaC20H16N2O6
Molecular Weight380.36 g/mol
Exact Mass380.10
IUPAC Name1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1NCC(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)O1
InChIInChI=1S/C20H16N2O6/c23-18-20(9-25-15-6-17-16(5-13(15)20)26-10-27-17)12-3-1-2-4-14(12)22(18)8-11-7-21-19(24)28-11/h1-6,11H,7-10H2,(H,21,24)
InChIKeyRKRCRTTYYSXKFX-UHFFFAOYSA-N
XLogP1.55
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 68600551) is 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1NCC(CN2C(=O)C3(COc4cc5c(cc43)OCO5)c3ccccc32)O1.
What is the InChIKey of 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is RKRCRTTYYSXKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O6/c23-18-20(9-25-15-6-17-16(5-13(15)20)26-10-27-17)12-3-1-2-4-14(12)22(18)8-11-7-21-19(24)28-11/h1-6,11H,7-10H2,(H,21,24).
What are the key properties of 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 380.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-oxo-1,3-oxazolidin-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 68600551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).