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

C24H27NO4 — CID 22169970

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

2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (PubChem CID 22169970) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• PubChem CID: 22169970
• Molecular Formula: C24H27NO4
• Molecular Weight: 393.48 g/mol
• Exact Mass: 393.19
• IUPAC Name: 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• SMILES: Cc1oc(-c2ccc(CC(C)C)cc2)nc1CCOc1cccc(CC(=O)O)c1
• InChI: InChI=1S/C24H27NO4/c1-16(2)13-18-7-9-20(10-8-18)24-25-22(17(3)29-24)11-12-28-21-6-4-5-19(14-21)15-23(26)27/h4-10,14,16H,11-13,15H2,1-3H3,(H,26,27)
• InChIKey: ZKFXTMZJOVMLLF-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.48
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (CID 22169970) is 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

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

The canonical SMILES for 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is Cc1oc(-c2ccc(CC(C)C)cc2)nc1CCOc1cccc(CC(=O)O)c1.

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

The InChIKey is ZKFXTMZJOVMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-16(2)13-18-7-9-20(10-8-18)24-25-22(17(3)29-24)11-12-28-21-6-4-5-19(14-21)15-23(26)27/h4-10,14,16H,11-13,15H2,1-3H3,(H,26,27).

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

2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid has a molecular weight of 393.48 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[5-methyl-2-[4-(2-methylpropyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 22169970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).