1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone

C18H15NO3 — CID 11011826

IUPAC1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)C1(C(=O)c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H15NO3/c1-13(20)18(17(21)15-10-6-3-7-11-15)12-16(19-22-18)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyLYUKJDNDGADERP-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.02
Rot. Bonds4

About 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone

1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone (PubChem CID 11011826) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone
PubChem CID11011826
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)C1(C(=O)c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C18H15NO3/c1-13(20)18(17(21)15-10-6-3-7-11-15)12-16(19-22-18)14-8-4-2-5-9-14/h2-11H,12H2,1H3
InChIKeyLYUKJDNDGADERP-UHFFFAOYSA-N
XLogP3.02
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone (CID 11011826) is 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone is CC(=O)C1(C(=O)c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone?
The InChIKey is LYUKJDNDGADERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-13(20)18(17(21)15-10-6-3-7-11-15)12-16(19-22-18)14-8-4-2-5-9-14/h2-11H,12H2,1H3.
What are the key properties of 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone?
1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone has a molecular weight of 293.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzoyl-3-phenyl-4H-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 11011826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).