2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid

C25H19F2NO4 — CID 10455627

IUPAC2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C25H19F2NO4/c26-19-9-5-17(6-10-19)24-25(18-7-11-20(27)12-8-18)32-22(28-24)13-4-16-2-1-3-21(14-16)31-15-23(29)30/h1-3,5-12,14H,4,13,15H2,(H,29,30)
InChIKeyXIKIJNOVCZVFLC-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.54
Rot. Bonds8

About 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid

2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid (PubChem CID 10455627) has the molecular formula C25H19F2NO4 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
PubChem CID10455627
Molecular FormulaC25H19F2NO4
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Name2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C25H19F2NO4/c26-19-9-5-17(6-10-19)24-25(18-7-11-20(27)12-8-18)32-22(28-24)13-4-16-2-1-3-21(14-16)31-15-23(29)30/h1-3,5-12,14H,4,13,15H2,(H,29,30)
InChIKeyXIKIJNOVCZVFLC-UHFFFAOYSA-N
XLogP5.54
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.43
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid (CID 10455627) is 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid is O=C(O)COc1cccc(CCc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The InChIKey is XIKIJNOVCZVFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO4/c26-19-9-5-17(6-10-19)24-25(18-7-11-20(27)12-8-18)32-22(28-24)13-4-16-2-1-3-21(14-16)31-15-23(29)30/h1-3,5-12,14H,4,13,15H2,(H,29,30).
What are the key properties of 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid has a molecular weight of 435.43 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4,5-bis(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 10455627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).