1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

C26H19N3O5 — CID 71036161

IUPAC1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCc1nc(-c2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc2)no1
InChIInChI=1S/C26H19N3O5/c1-15-27-24(28-34-15)17-8-6-16(7-9-17)12-29-20-5-3-2-4-18(20)26(25(29)30)13-31-21-11-23-22(10-19(21)26)32-14-33-23/h2-11H,12-14H2,1H3
InChIKeyXKJDFDBSUIEJGY-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.00
Rot. Bonds3

About 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one

1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (PubChem CID 71036161) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
PubChem CID71036161
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC Name1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
SMILESCc1nc(-c2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc2)no1
InChIInChI=1S/C26H19N3O5/c1-15-27-24(28-34-15)17-8-6-16(7-9-17)12-29-20-5-3-2-4-18(20)26(25(29)30)13-31-21-11-23-22(10-19(21)26)32-14-33-23/h2-11H,12-14H2,1H3
InChIKeyXKJDFDBSUIEJGY-UHFFFAOYSA-N
XLogP4.00
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one with MolForge

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Related Compounds

1'-[(6-methyl-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one;hydrochloride
CID 66642329
4-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzoyl chloride
CID 87087377
1'-[(1-methyl-6-oxo-3-pyridinyl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263496
1'-(2,1,3-benzoxadiazol-5-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263445
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[2,3-f][1,2]benzoxazole-7,3'-indole]-2'-one
CID 71036085
3-methyl-1'-[(4-methylphenyl)methyl]spiro[6H-furo[3,2-f][1,2]benzoxazole-5,3'-indole]-2'-one
CID 71036067
1'-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59352391
1'-[(6-oxo-1H-pyridin-3-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263375
1'-[(3-methylbenzotriazol-5-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263392
1'-(naphthalen-1-ylmethyl)spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 66642072
1'-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one
CID 59263410
N-ethyl-3-[(2'-oxospiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-1'-yl)methyl]benzamide
CID 11998937

Frequently Asked Questions

What is the IUPAC name of 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The IUPAC name of 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one (CID 71036161) is 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The canonical SMILES for 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is Cc1nc(-c2ccc(CN3C(=O)C4(COc5cc6c(cc54)OCO6)c4ccccc43)cc2)no1.
What is the InChIKey of 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
The InChIKey is XKJDFDBSUIEJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O5/c1-15-27-24(28-34-15)17-8-6-16(7-9-17)12-29-20-5-3-2-4-18(20)26(25(29)30)13-31-21-11-23-22(10-19(21)26)32-14-33-23/h2-11H,12-14H2,1H3.
What are the key properties of 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one?
1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one has a molecular weight of 453.45 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]spiro[6H-furo[2,3-f][1,3]benzodioxole-7,3'-indole]-2'-one is sourced from PubChem (CID 71036161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).