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

C26H23NO4 — CID 10001781

IUPAC5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid
SMILESO=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
InChIKeyGTHXZOHZILOAFR-UHFFFAOYSA-N
MW413.47 g/mol
LogP6.31
Rot. Bonds9

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

5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid (PubChem CID 10001781) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid
PubChem CID10001781
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid
SMILESO=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29)
InChIKeyGTHXZOHZILOAFR-UHFFFAOYSA-N
XLogP6.31
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid?
The IUPAC name of 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid (CID 10001781) is 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid.
What is the SMILES notation for 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid?
The canonical SMILES for 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid is O=C(O)CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid?
The InChIKey is GTHXZOHZILOAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c28-23(29)17-9-10-18-30-22-16-8-7-15-21(22)26-27-24(19-11-3-1-4-12-19)25(31-26)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2,(H,28,29).
What are the key properties of 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid?
5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid has a molecular weight of 413.47 g/mol, XLogP of 6.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,5-diphenyl-1,3-oxazol-2-yl)phenoxy]pentanoic acid is sourced from PubChem (CID 10001781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).