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

C21H15NO2 — CID 10470825

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C21H15NO2/c23-18-13-7-12-17(14-18)21-22-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14,23H
InChIKeyDSSWXPQYMJDVNT-UHFFFAOYSA-N
MW313.36 g/mol
LogP5.38
Rot. Bonds3

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

3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol (PubChem CID 10470825) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
PubChem CID10470825
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1
InChIInChI=1S/C21H15NO2/c23-18-13-7-12-17(14-18)21-22-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14,23H
InChIKeyDSSWXPQYMJDVNT-UHFFFAOYSA-N
XLogP5.38
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol (CID 10470825) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol is Oc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol?
The InChIKey is DSSWXPQYMJDVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c23-18-13-7-12-17(14-18)21-22-19(15-8-3-1-4-9-15)20(24-21)16-10-5-2-6-11-16/h1-14,23H.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol?
3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol has a molecular weight of 313.36 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 10470825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).