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

C27H18Cl2N2O5 — CID 59352391

About 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

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 (PubChem CID 59352391) has the molecular formula C27H18Cl2N2O5 and a molecular weight of 521.36 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 59352391
• Molecular Formula: C27H18Cl2N2O5
• Molecular Weight: 521.36 g/mol
• Exact Mass: 520.06
• IUPAC Name: 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
• SMILES: Cc1onc(-c2c(Cl)cccc2Cl)c1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21
• InChI: InChI=1S/C27H18Cl2N2O5/c1-14-15(25(30-36-14)24-18(28)6-4-7-19(24)29)11-31-20-8-3-2-5-16(20)27(26(31)32)12-33-21-10-23-22(9-17(21)27)34-13-35-23/h2-10H,11-13H2,1H3
• InChIKey: ZRWGKCXBLCUSSZ-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 74.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.36
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Cc1onc(-c2c(Cl)cccc2Cl)c1CN1C(=O)C2(COc3cc4c(cc32)OCO4)c2ccccc21.

What is the InChIKey of 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?

The InChIKey is ZRWGKCXBLCUSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N2O5/c1-14-15(25(30-36-14)24-18(28)6-4-7-19(24)29)11-31-20-8-3-2-5-16(20)27(26(31)32)12-33-21-10-23-22(9-17(21)27)34-13-35-23/h2-10H,11-13H2,1H3.

What are the key properties of 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?

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 has a molecular weight of 521.36 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 59352391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).