phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol

C16H13NO2 — CID 11622956

IUPACphenyl-(5-phenyl-1,3-oxazol-4-yl)methanol
SMILESOC(c1ccccc1)c1ncoc1-c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(12-7-3-1-4-8-12)14-16(19-11-17-14)13-9-5-2-6-10-13/h1-11,15,18H
InChIKeyCOOHTJBKQMLTQC-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.42
Rot. Bonds3

About phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol

phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol (PubChem CID 11622956) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol.

Molecular Properties

Compound Namephenyl-(5-phenyl-1,3-oxazol-4-yl)methanol
PubChem CID11622956
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namephenyl-(5-phenyl-1,3-oxazol-4-yl)methanol
SMILESOC(c1ccccc1)c1ncoc1-c1ccccc1
InChIInChI=1S/C16H13NO2/c18-15(12-7-3-1-4-8-12)14-16(19-11-17-14)13-9-5-2-6-10-13/h1-11,15,18H
InChIKeyCOOHTJBKQMLTQC-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol?
The IUPAC name of phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol (CID 11622956) is phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol.
What is the SMILES notation for phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol?
The canonical SMILES for phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol is OC(c1ccccc1)c1ncoc1-c1ccccc1.
What is the InChIKey of phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol?
The InChIKey is COOHTJBKQMLTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15(12-7-3-1-4-8-12)14-16(19-11-17-14)13-9-5-2-6-10-13/h1-11,15,18H.
What are the key properties of phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol?
phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol has a molecular weight of 251.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol is sourced from PubChem (CID 11622956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).