2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid

C26H23NO5 — CID 68883980

About 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid

2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (PubChem CID 68883980) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
• PubChem CID: 68883980
• Molecular Formula: C26H23NO5
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.16
• IUPAC Name: 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cccc(CC(=O)O)c2)cc1
• InChI: InChI=1S/C26H23NO5/c1-18-24(27-26(32-18)21-7-3-2-4-8-21)17-31-22-12-10-19(11-13-22)16-30-23-9-5-6-20(14-23)15-25(28)29/h2-14H,15-17H2,1H3,(H,28,29)
• InChIKey: HZIRIDYMQXQLBS-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (CID 68883980) is 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

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

The canonical SMILES for 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(COc2cccc(CC(=O)O)c2)cc1.

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

The InChIKey is HZIRIDYMQXQLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-18-24(27-26(32-18)21-7-3-2-4-8-21)17-31-22-12-10-19(11-13-22)16-30-23-9-5-6-20(14-23)15-25(28)29/h2-14H,15-17H2,1H3,(H,28,29).

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

2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid has a molecular weight of 429.47 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68883980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).