3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol

C23H17NO2 — CID 54488787

IUPAC3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
SMILESOc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H
InChIKeyXUGVYZUVNVFZPW-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.88
Rot. Bonds4

About 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol

3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol (PubChem CID 54488787) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
PubChem CID54488787
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol
SMILESOc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H
InChIKeyXUGVYZUVNVFZPW-UHFFFAOYSA-N
XLogP5.88
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The IUPAC name of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol (CID 54488787) is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The canonical SMILES for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol is Oc1cccc(C=Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
The InChIKey is XUGVYZUVNVFZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-20-13-7-8-17(16-20)14-15-21-24-22(18-9-3-1-4-10-18)23(26-21)19-11-5-2-6-12-19/h1-16,25H.
What are the key properties of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol?
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol has a molecular weight of 339.39 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethenyl]phenol is sourced from PubChem (CID 54488787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).