3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid

C22H21N3O4 — CID 10249871

About 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid

3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid (PubChem CID 10249871) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
• PubChem CID: 10249871
• Molecular Formula: C22H21N3O4
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.15
• IUPAC Name: 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid
• SMILES: Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(cnn2CCC(=O)O)c1
• InChI: InChI=1S/C22H21N3O4/c1-15-19(24-22(29-15)16-5-3-2-4-6-16)10-12-28-18-7-8-20-17(13-18)14-23-25(20)11-9-21(26)27/h2-8,13-14H,9-12H2,1H3,(H,26,27)
• InChIKey: OVSUJUWWFRBCDS-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 90.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid (CID 10249871) is 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid.

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

The canonical SMILES for 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(cnn2CCC(=O)O)c1.

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

The InChIKey is OVSUJUWWFRBCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-19(24-22(29-15)16-5-3-2-4-6-16)10-12-28-18-7-8-20-17(13-18)14-23-25(20)11-9-21(26)27/h2-8,13-14H,9-12H2,1H3,(H,26,27).

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

3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid has a molecular weight of 391.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 10249871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).