2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid

C25H19NO4 — CID 10069380

IUPAC2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C25H19NO4/c27-23(28)17-29-21-14-8-7-9-18(21)15-16-22-26-24(19-10-3-1-4-11-19)25(30-22)20-12-5-2-6-13-20/h1-16H,17H2,(H,27,28)/b16-15+
InChIKeyWRSULSWWOKGAJH-FOCLMDBBSA-N
MW397.43 g/mol
LogP5.64
Rot. Bonds7

About 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid

2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid (PubChem CID 10069380) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
PubChem CID10069380
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C25H19NO4/c27-23(28)17-29-21-14-8-7-9-18(21)15-16-22-26-24(19-10-3-1-4-11-19)25(30-22)20-12-5-2-6-13-20/h1-16H,17H2,(H,27,28)/b16-15+
InChIKeyWRSULSWWOKGAJH-FOCLMDBBSA-N
XLogP5.64
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid (CID 10069380) is 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=C/c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid?
The InChIKey is WRSULSWWOKGAJH-FOCLMDBBSA-N. The full InChI is InChI=1S/C25H19NO4/c27-23(28)17-29-21-14-8-7-9-18(21)15-16-22-26-24(19-10-3-1-4-11-19)25(30-22)20-12-5-2-6-13-20/h1-16H,17H2,(H,27,28)/b16-15+.
What are the key properties of 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid?
2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid has a molecular weight of 397.43 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenoxy]acetic acid is sourced from PubChem (CID 10069380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).