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

C22H17F6NO4 — CID 23125399

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

2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (PubChem CID 23125399) has the molecular formula C22H17F6NO4 and a molecular weight of 473.37 g/mol. Its IUPAC name is 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• PubChem CID: 23125399
• Molecular Formula: C22H17F6NO4
• Molecular Weight: 473.37 g/mol
• Exact Mass: 473.11
• IUPAC Name: 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid
• SMILES: O=C(O)Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2CC(F)(F)F)c1
• InChI: InChI=1S/C22H17F6NO4/c23-21(24,25)12-18-17(8-9-32-16-3-1-2-13(10-16)11-19(30)31)29-20(33-18)14-4-6-15(7-5-14)22(26,27)28/h1-7,10H,8-9,11-12H2,(H,30,31)
• InChIKey: CQWYEZTWTIMFMD-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 72.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.37
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid (CID 23125399) is 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid.

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

The canonical SMILES for 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is O=C(O)Cc1cccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2CC(F)(F)F)c1.

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

The InChIKey is CQWYEZTWTIMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6NO4/c23-21(24,25)12-18-17(8-9-32-16-3-1-2-13(10-16)11-19(30)31)29-20(33-18)14-4-6-15(7-5-14)22(26,27)28/h1-7,10H,8-9,11-12H2,(H,30,31).

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

2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid has a molecular weight of 473.37 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[5-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 23125399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).