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

C26H22ClNO5 — CID 68884683

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

2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (PubChem CID 68884683) has the molecular formula C26H22ClNO5 and a molecular weight of 463.92 g/mol. Its IUPAC name is 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
• PubChem CID: 68884683
• Molecular Formula: C26H22ClNO5
• Molecular Weight: 463.92 g/mol
• Exact Mass: 463.12
• IUPAC Name: 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
• SMILES: Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1
• InChI: InChI=1S/C26H22ClNO5/c1-17-23(28-26(33-17)19-5-3-2-4-6-19)16-31-22-10-7-18(8-11-22)15-32-24-12-9-21(27)13-20(24)14-25(29)30/h2-13H,14-16H2,1H3,(H,29,30)
• InChIKey: WMNBSYLCMAKXGM-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 81.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.92
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid (CID 68884683) is 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid.

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

The canonical SMILES for 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(Cl)cc2CC(=O)O)cc1.

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

The InChIKey is WMNBSYLCMAKXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO5/c1-17-23(28-26(33-17)19-5-3-2-4-6-19)16-31-22-10-7-18(8-11-22)15-32-24-12-9-21(27)13-20(24)14-25(29)30/h2-13H,14-16H2,1H3,(H,29,30).

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

2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid has a molecular weight of 463.92 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 68884683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).