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

C11H9NO3 — CID 15271056

IUPAC2-acetyl-3-phenyl-1,2-oxazol-5-one
SMILESCC(=O)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C11H9NO3/c1-8(13)12-10(7-11(14)15-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCOOIPFMPUZMVAS-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.77
Rot. Bonds1

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

2-acetyl-3-phenyl-1,2-oxazol-5-one (PubChem CID 15271056) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-acetyl-3-phenyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-acetyl-3-phenyl-1,2-oxazol-5-one
PubChem CID15271056
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-acetyl-3-phenyl-1,2-oxazol-5-one
SMILESCC(=O)n1oc(=O)cc1-c1ccccc1
InChIInChI=1S/C11H9NO3/c1-8(13)12-10(7-11(14)15-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyCOOIPFMPUZMVAS-UHFFFAOYSA-N
XLogP1.77
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-phenyl-1,2-oxazol-5-one?
The IUPAC name of 2-acetyl-3-phenyl-1,2-oxazol-5-one (CID 15271056) is 2-acetyl-3-phenyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-acetyl-3-phenyl-1,2-oxazol-5-one?
The canonical SMILES for 2-acetyl-3-phenyl-1,2-oxazol-5-one is CC(=O)n1oc(=O)cc1-c1ccccc1.
What is the InChIKey of 2-acetyl-3-phenyl-1,2-oxazol-5-one?
The InChIKey is COOIPFMPUZMVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-8(13)12-10(7-11(14)15-12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-acetyl-3-phenyl-1,2-oxazol-5-one?
2-acetyl-3-phenyl-1,2-oxazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-phenyl-1,2-oxazol-5-one is sourced from PubChem (CID 15271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).