3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol

C28H21NO2 — CID 12020842

IUPAC3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
SMILESCc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1-c1cccc(O)c1
InChIInChI=1S/C28H21NO2/c1-19-10-8-17-24(25(19)22-15-9-16-23(30)18-22)28-29-26(20-11-4-2-5-12-20)27(31-28)21-13-6-3-7-14-21/h2-18,30H,1H3
InChIKeyXTEBVEJNDKFRIY-UHFFFAOYSA-N
MW403.48 g/mol
LogP7.36
Rot. Bonds4

About 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol

3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol (PubChem CID 12020842) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol.

Molecular Properties

Compound Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
PubChem CID12020842
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol
SMILESCc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1-c1cccc(O)c1
InChIInChI=1S/C28H21NO2/c1-19-10-8-17-24(25(19)22-15-9-16-23(30)18-22)28-29-26(20-11-4-2-5-12-20)27(31-28)21-13-6-3-7-14-21/h2-18,30H,1H3
InChIKeyXTEBVEJNDKFRIY-UHFFFAOYSA-N
XLogP7.36
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 57.36
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)-6-methylphenyl]phenol?
The IUPAC name of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol (CID 12020842) is 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol.
What is the SMILES notation for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol?
The canonical SMILES for 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol is Cc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1-c1cccc(O)c1.
What is the InChIKey of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol?
The InChIKey is XTEBVEJNDKFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c1-19-10-8-17-24(25(19)22-15-9-16-23(30)18-22)28-29-26(20-11-4-2-5-12-20)27(31-28)21-13-6-3-7-14-21/h2-18,30H,1H3.
What are the key properties of 3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol?
3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)-6-methylphenyl]phenol has a molecular weight of 403.48 g/mol, XLogP of 7.36, 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)-6-methylphenyl]phenol is sourced from PubChem (CID 12020842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).