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

C26H29NO5 — CID 18003605

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

2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid (PubChem CID 18003605) has the molecular formula C26H29NO5 and a molecular weight of 435.52 g/mol. Its IUPAC name is 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid.

Molecular Properties

• Compound Name: 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
• PubChem CID: 18003605
• Molecular Formula: C26H29NO5
• Molecular Weight: 435.52 g/mol
• Exact Mass: 435.20
• IUPAC Name: 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid
• SMILES: CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2c1CCC2)C(=O)O
• InChI: InChI=1S/C26H29NO5/c1-3-30-24(26(28)29)16-19-12-13-23(21-11-7-10-20(19)21)31-15-14-22-17(2)32-25(27-22)18-8-5-4-6-9-18/h4-6,8-9,12-13,24H,3,7,10-11,14-16H2,1-2H3,(H,28,29)
• InChIKey: NVGFMQAAGRNKHI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.52
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid (CID 18003605) is 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid.

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

The canonical SMILES for 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid is CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2c1CCC2)C(=O)O.

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

The InChIKey is NVGFMQAAGRNKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO5/c1-3-30-24(26(28)29)16-19-12-13-23(21-11-7-10-20(19)21)31-15-14-22-17(2)32-25(27-22)18-8-5-4-6-9-18/h4-6,8-9,12-13,24H,3,7,10-11,14-16H2,1-2H3,(H,28,29).

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

2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid has a molecular weight of 435.52 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-3-[7-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2,3-dihydro-1H-inden-4-yl]propanoic acid is sourced from PubChem (CID 18003605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).