4-benzyl-3-phenyl-4H-1,2-oxazol-5-one

C16H13NO2 — CID 11207469

IUPAC4-benzyl-3-phenyl-4H-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyBGJVSKFHTPNSOJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.81
Rot. Bonds3

About 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one

4-benzyl-3-phenyl-4H-1,2-oxazol-5-one (PubChem CID 11207469) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-benzyl-3-phenyl-4H-1,2-oxazol-5-one
PubChem CID11207469
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name4-benzyl-3-phenyl-4H-1,2-oxazol-5-one
SMILESO=C1ON=C(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-10,14H,11H2
InChIKeyBGJVSKFHTPNSOJ-UHFFFAOYSA-N
XLogP2.81
TPSA38.66 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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one?
The IUPAC name of 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one (CID 11207469) is 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one.
What is the SMILES notation for 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one?
The canonical SMILES for 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one is O=C1ON=C(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one?
The InChIKey is BGJVSKFHTPNSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-10,14H,11H2.
What are the key properties of 4-benzyl-3-phenyl-4H-1,2-oxazol-5-one?
4-benzyl-3-phenyl-4H-1,2-oxazol-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.81, 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-4H-1,2-oxazol-5-one is sourced from PubChem (CID 11207469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).