1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C23H15N3O5 — CID 59263445

IUPAC1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc3nonc3c2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C23H15N3O5/c27-22-23(11-28-19-9-21-20(8-15(19)23)29-12-30-21)14-3-1-2-4-18(14)26(22)10-13-5-6-16-17(7-13)25-31-24-16/h1-9H,10-12H2
InChIKeyOBXXDQDEVYLRRA-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.18
Rot. Bonds2

About 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 59263445) has the molecular formula C23H15N3O5 and a molecular weight of 413.39 g/mol. Its IUPAC name is 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID59263445
Molecular FormulaC23H15N3O5
Molecular Weight413.39 g/mol
Exact Mass413.10
IUPAC Name1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESO=C1N(Cc2ccc3nonc3c2)c2ccccc2C12COc1cc3c(cc12)OCO3
InChIInChI=1S/C23H15N3O5/c27-22-23(11-28-19-9-21-20(8-15(19)23)29-12-30-21)14-3-1-2-4-18(14)26(22)10-13-5-6-16-17(7-13)25-31-24-16/h1-9H,10-12H2
InChIKeyOBXXDQDEVYLRRA-UHFFFAOYSA-N
XLogP3.18
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 59263445) is 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is O=C1N(Cc2ccc3nonc3c2)c2ccccc2C12COc1cc3c(cc12)OCO3.
What is the InChIKey of 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is OBXXDQDEVYLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O5/c27-22-23(11-28-19-9-21-20(8-15(19)23)29-12-30-21)14-3-1-2-4-18(14)26(22)10-13-5-6-16-17(7-13)25-31-24-16/h1-9H,10-12H2.
What are the key properties of 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 413.39 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 59263445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).