3-benzyl-5-phenyl-1,3-oxazol-2-one

C16H13NO2 — CID 18970447

IUPAC3-benzyl-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(11-13-7-3-1-4-8-13)12-15(19-16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyIXGBUSPXUPXAMU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.16
Rot. Bonds3

About 3-benzyl-5-phenyl-1,3-oxazol-2-one

3-benzyl-5-phenyl-1,3-oxazol-2-one (PubChem CID 18970447) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-1,3-oxazol-2-one
PubChem CID18970447
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-benzyl-5-phenyl-1,3-oxazol-2-one
SMILESO=c1oc(-c2ccccc2)cn1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-17(11-13-7-3-1-4-8-13)12-15(19-16)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyIXGBUSPXUPXAMU-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-benzyl-5-phenyl-1,3-oxazol-2-one (CID 18970447) is 3-benzyl-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-benzyl-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-benzyl-5-phenyl-1,3-oxazol-2-one is O=c1oc(-c2ccccc2)cn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-1,3-oxazol-2-one?
The InChIKey is IXGBUSPXUPXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-17(11-13-7-3-1-4-8-13)12-15(19-16)14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 3-benzyl-5-phenyl-1,3-oxazol-2-one?
3-benzyl-5-phenyl-1,3-oxazol-2-one has a molecular weight of 251.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 18970447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).