3-(2-benzyl-1,3-oxazol-4-yl)phenol

C16H13NO2 — CID 115046801

IUPAC3-(2-benzyl-1,3-oxazol-4-yl)phenol
SMILESOc1cccc(-c2coc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13NO2/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2
InChIKeyLQYQIFOAFVYMAT-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.64
Rot. Bonds3

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

3-(2-benzyl-1,3-oxazol-4-yl)phenol (PubChem CID 115046801) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(2-benzyl-1,3-oxazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-benzyl-1,3-oxazol-4-yl)phenol
PubChem CID115046801
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-(2-benzyl-1,3-oxazol-4-yl)phenol
SMILESOc1cccc(-c2coc(Cc3ccccc3)n2)c1
InChIInChI=1S/C16H13NO2/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2
InChIKeyLQYQIFOAFVYMAT-UHFFFAOYSA-N
XLogP3.64
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-1,3-oxazol-4-yl)phenol?
The IUPAC name of 3-(2-benzyl-1,3-oxazol-4-yl)phenol (CID 115046801) is 3-(2-benzyl-1,3-oxazol-4-yl)phenol.
What is the SMILES notation for 3-(2-benzyl-1,3-oxazol-4-yl)phenol?
The canonical SMILES for 3-(2-benzyl-1,3-oxazol-4-yl)phenol is Oc1cccc(-c2coc(Cc3ccccc3)n2)c1.
What is the InChIKey of 3-(2-benzyl-1,3-oxazol-4-yl)phenol?
The InChIKey is LQYQIFOAFVYMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-8-4-7-13(10-14)15-11-19-16(17-15)9-12-5-2-1-3-6-12/h1-8,10-11,18H,9H2.
What are the key properties of 3-(2-benzyl-1,3-oxazol-4-yl)phenol?
3-(2-benzyl-1,3-oxazol-4-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-1,3-oxazol-4-yl)phenol is sourced from PubChem (CID 115046801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).