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

C25H19F2NO4 — CID 10094498

IUPAC2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C25H19F2NO4/c26-20-10-3-1-8-18(20)24-25(19-9-2-4-11-21(19)27)32-22(28-24)13-12-16-6-5-7-17(14-16)31-15-23(29)30/h1-11,14H,12-13,15H2,(H,29,30)
InChIKeyIZGNVEKEDYRVLV-UHFFFAOYSA-N
MW435.43 g/mol
LogP5.54
Rot. Bonds8

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

2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid (PubChem CID 10094498) has the molecular formula C25H19F2NO4 and a molecular weight of 435.43 g/mol. Its IUPAC name is 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
PubChem CID10094498
Molecular FormulaC25H19F2NO4
Molecular Weight435.43 g/mol
Exact Mass435.13
IUPAC Name2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1
InChIInChI=1S/C25H19F2NO4/c26-20-10-3-1-8-18(20)24-25(19-9-2-4-11-21(19)27)32-22(28-24)13-12-16-6-5-7-17(14-16)31-15-23(29)30/h1-11,14H,12-13,15H2,(H,29,30)
InChIKeyIZGNVEKEDYRVLV-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(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid (CID 10094498) is 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid is O=C(O)COc1cccc(CCc2nc(-c3ccccc3F)c(-c3ccccc3F)o2)c1.
What is the InChIKey of 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
The InChIKey is IZGNVEKEDYRVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2NO4/c26-20-10-3-1-8-18(20)24-25(19-9-2-4-11-21(19)27)32-22(28-24)13-12-16-6-5-7-17(14-16)31-15-23(29)30/h1-11,14H,12-13,15H2,(H,29,30).
What are the key properties of 2-[3-[2-[4,5-bis(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid?
2-[3-[2-[4,5-bis(2-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(2-fluorophenyl)-1,3-oxazol-2-yl]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 10094498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).