2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid

C31H31NO4 — CID 10254629

About 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid (PubChem CID 10254629) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid
• PubChem CID: 10254629
• Molecular Formula: C31H31NO4
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.23
• IUPAC Name: 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1cc2c(cc1CCc1ccccc1)C(CC(=O)O)CC2
• InChI: InChI=1S/C31H31NO4/c1-21-28(32-31(36-21)23-10-6-3-7-11-23)16-17-35-29-19-24-14-15-25(20-30(33)34)27(24)18-26(29)13-12-22-8-4-2-5-9-22/h2-11,18-19,25H,12-17,20H2,1H3,(H,33,34)
• InChIKey: PFBVHMQHSZZKEI-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid?

The IUPAC name of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid (CID 10254629) is 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid.

What is the SMILES notation for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid?

The canonical SMILES for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid is Cc1oc(-c2ccccc2)nc1CCOc1cc2c(cc1CCc1ccccc1)C(CC(=O)O)CC2.

What is the InChIKey of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid?

The InChIKey is PFBVHMQHSZZKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4/c1-21-28(32-31(36-21)23-10-6-3-7-11-23)16-17-35-29-19-24-14-15-25(20-30(33)34)27(24)18-26(29)13-12-22-8-4-2-5-9-22/h2-11,18-19,25H,12-17,20H2,1H3,(H,33,34).

What are the key properties of 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid?

2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid has a molecular weight of 481.59 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-6-(2-phenylethyl)-2,3-dihydro-1H-inden-1-yl]acetic acid is sourced from PubChem (CID 10254629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).