2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

C29H25F2NO4 — CID 10254963

About 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 10254963) has the molecular formula C29H25F2NO4 and a molecular weight of 489.52 g/mol. Its IUPAC name is 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
• PubChem CID: 10254963
• Molecular Formula: C29H25F2NO4
• Molecular Weight: 489.52 g/mol
• Exact Mass: 489.18
• IUPAC Name: 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1cc2c(c(-c3ccc(F)cc3F)c1)C(CC(=O)O)CC2
• InChI: InChI=1S/C29H25F2NO4/c1-17-26(32-29(36-17)18-5-3-2-4-6-18)11-12-35-22-13-19-7-8-20(14-27(33)34)28(19)24(16-22)23-10-9-21(30)15-25(23)31/h2-6,9-10,13,15-16,20H,7-8,11-12,14H2,1H3,(H,33,34)
• InChIKey: JQPHQOHOWBYSRK-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.52
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The IUPAC name of 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 10254963) is 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid.

What is the SMILES notation for 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The canonical SMILES for 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1cc2c(c(-c3ccc(F)cc3F)c1)C(CC(=O)O)CC2.

What is the InChIKey of 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

The InChIKey is JQPHQOHOWBYSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2NO4/c1-17-26(32-29(36-17)18-5-3-2-4-6-18)11-12-35-22-13-19-7-8-20(14-27(33)34)28(19)24(16-22)23-10-9-21(30)15-25(23)31/h2-6,9-10,13,15-16,20H,7-8,11-12,14H2,1H3,(H,33,34).

What are the key properties of 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid?

2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 489.52 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(2,4-difluorophenyl)-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 10254963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).