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

C11H9NO3 — CID 14955907

IUPAC4-acetyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESCC(=O)C1=C(NOC1=O)C2=CC=CC=C2
InChIInChI=1S/C11H9NO3/c1-7(13)9-10(12-15-11(9)14)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyJEQSBSREQUQXNZ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.80
Rot. Bonds2

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

4-acetyl-3-phenyl-2H-1,2-oxazol-5-one (PubChem CID 14955907) has the molecular formula C11H9NO3 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-acetyl-3-phenyl-2H-1,2-oxazol-5-one
PubChem CID14955907
Molecular FormulaC11H9NO3
Molecular Weight203.19 g/mol
Exact Mass203.06
IUPAC Name4-acetyl-3-phenyl-2H-1,2-oxazol-5-one
SMILESCC(=O)C1=C(NOC1=O)C2=CC=CC=C2
InChIInChI=1S/C11H9NO3/c1-7(13)9-10(12-15-11(9)14)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyJEQSBSREQUQXNZ-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity327

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Phenylmaleisoimide
CID 568654
hydrocinnamic acid, alpha-(ethoxyhydroxymethylene)-beta-oxo-, ethyl ester, beta-oxime, sodium salt
CID 23667633
3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
Ethyl 5-oxo-3-phenyl-2,5-dihydro-1,2-oxazole-4-carboxylate
CID 13809574
4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
CID 92555
4-Benzoyl-3-phenylisoxazol-5(2H)-one
CID 736265
3-(4-Fluorophenyl)-1,2-oxazol-5-ol
CID 75359316
3-(4-fluorophenyl)-4-propan-2-yl-2H-1,2-oxazol-5-one
CID 85827112
4-(2-Aminoethyl)-3-phenylisoxazol-5(2H)-one
CID 4715340
3-phenyl-4-[(E)-3-phenylprop-2-enyl]-2H-1,2-oxazol-5-one
CID 12194221
4-(2-methylpropanoyl)-3-phenyl-2H-1,2-oxazol-5-one
CID 101486539
Methyl 6-hydroxyamino-3,4-dioxo-6-phenyl-5-hexenoate
CID 129796420

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one (CID 14955907) is 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one is CC(=O)C1=C(NOC1=O)C2=CC=CC=C2.
What is the InChIKey of 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one?
The InChIKey is JEQSBSREQUQXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(13)9-10(12-15-11(9)14)8-5-3-2-4-6-8/h2-6,12H,1H3.
What are the key properties of 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one?
4-acetyl-3-phenyl-2H-1,2-oxazol-5-one has a molecular weight of 203.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-phenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 14955907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).