3-(4-acetylphenyl)-2H-1,2-oxazol-5-one

C11H9NO3 — CID 84721539

IUPAC3-(4-acetylphenyl)-2H-1,2-oxazol-5-one
SMILESCC(=O)c1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C11H9NO3/c1-7(13)8-2-4-9(5-3-8)10-6-11(14)15-12-10/h2-6,12H,1H3
InChIKeyOFTBBCWQRRVLIL-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.84
Rot. Bonds2

About 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one

3-(4-acetylphenyl)-2H-1,2-oxazol-5-one (PubChem CID 84721539) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)-2H-1,2-oxazol-5-one
PubChem CID84721539
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-(4-acetylphenyl)-2H-1,2-oxazol-5-one
SMILESCC(=O)c1ccc(-c2cc(=O)o[nH]2)cc1
InChIInChI=1S/C11H9NO3/c1-7(13)8-2-4-9(5-3-8)10-6-11(14)15-12-10/h2-6,12H,1H3
InChIKeyOFTBBCWQRRVLIL-UHFFFAOYSA-N
XLogP1.84
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-4-methyl-5-hydroxy-isoxazole
CID 576162
3-Hydroxy-1H-inden-1-one O-methyloxime
CID 4829473
2-Benzoyl-3-methyl-1,2-oxazol-5-one
CID 13423446
4-Benzoyl-3-phenylisoxazol-5(2H)-one
CID 736265
[(4-Methylbenzoyl)amino] acetate
CID 101249128
[1-[4-(2,2-Dimethylpropanoyl)phenyl]-4,4,4-trifluoro-3-oxobut-1-enyl]azanium
CID 149201024
1-[4-(1-Amino-4,4,4-trifluoro-3-oxobut-1-enyl)phenyl]-2,2-dimethylpropan-1-one
CID 149201025
ethyl (Z)-3-(4-acetylphenyl)-3-amino-2-cyanoprop-2-enoate
CID 10858151
Benzoylisoxazol-5-one
CID 129777087
3-Amino-1,3-bis(4-methylphenyl)-prop-2-en-1-one
CID 162393202
(Z)-3-amino-3-[4-(3,3-difluoro-2-phenylprop-2-enoyl)phenyl]prop-2-enoic acid
CID 162548394
2-Propen-1-one, 3-amino-3-(4-methylphenyl)-1-phenyl-
CID 5376861

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one (CID 84721539) is 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one is CC(=O)c1ccc(-c2cc(=O)o[nH]2)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one?
The InChIKey is OFTBBCWQRRVLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(13)8-2-4-9(5-3-8)10-6-11(14)15-12-10/h2-6,12H,1H3.
What are the key properties of 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one?
3-(4-acetylphenyl)-2H-1,2-oxazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 84721539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).