2-benzoyl-3-methyl-1,2-oxazol-5-one

C11H9NO3 — CID 13423446

IUPAC2-benzoyl-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccccc1
InChIInChI=1S/C11H9NO3/c1-8-7-10(13)15-12(8)11(14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyASEHYFRRVOVDDE-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.44
Rot. Bonds1

About 2-benzoyl-3-methyl-1,2-oxazol-5-one

2-benzoyl-3-methyl-1,2-oxazol-5-one (PubChem CID 13423446) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-benzoyl-3-methyl-1,2-oxazol-5-one.

Molecular Properties

Compound Name2-benzoyl-3-methyl-1,2-oxazol-5-one
PubChem CID13423446
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-benzoyl-3-methyl-1,2-oxazol-5-one
SMILESCc1cc(=O)on1C(=O)c1ccccc1
InChIInChI=1S/C11H9NO3/c1-8-7-10(13)15-12(8)11(14)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyASEHYFRRVOVDDE-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-methyl-1,2-oxazol-5-one?
The IUPAC name of 2-benzoyl-3-methyl-1,2-oxazol-5-one (CID 13423446) is 2-benzoyl-3-methyl-1,2-oxazol-5-one.
What is the SMILES notation for 2-benzoyl-3-methyl-1,2-oxazol-5-one?
The canonical SMILES for 2-benzoyl-3-methyl-1,2-oxazol-5-one is Cc1cc(=O)on1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-3-methyl-1,2-oxazol-5-one?
The InChIKey is ASEHYFRRVOVDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-8-7-10(13)15-12(8)11(14)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-benzoyl-3-methyl-1,2-oxazol-5-one?
2-benzoyl-3-methyl-1,2-oxazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-methyl-1,2-oxazol-5-one is sourced from PubChem (CID 13423446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).