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

C24H24F3NO4 — CID 23125404

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

2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (PubChem CID 23125404) has the molecular formula C24H24F3NO4 and a molecular weight of 447.45 g/mol. Its IUPAC name is 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• PubChem CID: 23125404
• Molecular Formula: C24H24F3NO4
• Molecular Weight: 447.45 g/mol
• Exact Mass: 447.17
• IUPAC Name: 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• SMILES: CCCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cc(CC(=O)O)ccc1C
• InChI: InChI=1S/C24H24F3NO4/c1-3-4-20-19(11-12-31-21-13-16(14-22(29)30)6-5-15(21)2)28-23(32-20)17-7-9-18(10-8-17)24(25,26)27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,29,30)
• InChIKey: CGCJGDPXQHPYQP-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.45
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (CID 23125404) is 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

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

The canonical SMILES for 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is CCCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1cc(CC(=O)O)ccc1C.

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

The InChIKey is CGCJGDPXQHPYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO4/c1-3-4-20-19(11-12-31-21-13-16(14-22(29)30)6-5-15(21)2)28-23(32-20)17-7-9-18(10-8-17)24(25,26)27/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,29,30).

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

2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid has a molecular weight of 447.45 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-methyl-3-[2-[5-propyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 23125404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).