4-benzyl-3-phenyl-1,3-oxazol-2-one

C16H13NO2 — CID 138858082

IUPAC4-benzyl-3-phenyl-1,3-oxazol-2-one
SMILESO=c1occ(Cc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyKHBYZJMAQXUPBF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.02
Rot. Bonds3

About 4-benzyl-3-phenyl-1,3-oxazol-2-one

4-benzyl-3-phenyl-1,3-oxazol-2-one (PubChem CID 138858082) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-benzyl-3-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name4-benzyl-3-phenyl-1,3-oxazol-2-one
PubChem CID138858082
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-benzyl-3-phenyl-1,3-oxazol-2-one
SMILESO=c1occ(Cc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKeyKHBYZJMAQXUPBF-UHFFFAOYSA-N
XLogP3.02
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-phenyl-1,3-oxazol-2-one?
The IUPAC name of 4-benzyl-3-phenyl-1,3-oxazol-2-one (CID 138858082) is 4-benzyl-3-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 4-benzyl-3-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 4-benzyl-3-phenyl-1,3-oxazol-2-one is O=c1occ(Cc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 4-benzyl-3-phenyl-1,3-oxazol-2-one?
The InChIKey is KHBYZJMAQXUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-17(14-9-5-2-6-10-14)15(12-19-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2.
What are the key properties of 4-benzyl-3-phenyl-1,3-oxazol-2-one?
4-benzyl-3-phenyl-1,3-oxazol-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 138858082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).