2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide

C13H13FN2O3 — CID 86787189

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-10(8(2)19-16-7)6-13(18)15-12-4-3-9(17)5-11(12)14/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyZBEYKXNTTBFJGQ-UHFFFAOYSA-N
MW264.26 g/mol
LogP2.32
Rot. Bonds3

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide (PubChem CID 86787189) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
PubChem CID86787189
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
SMILESCc1noc(C)c1CC(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C13H13FN2O3/c1-7-10(8(2)19-16-7)6-13(18)15-12-4-3-9(17)5-11(12)14/h3-5,17H,6H2,1-2H3,(H,15,18)
InChIKeyZBEYKXNTTBFJGQ-UHFFFAOYSA-N
XLogP2.32
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
N-(5-chloro-2-methylphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30275732
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 27813023
N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
CID 95599370
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-fluoro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetamide
CID 39281943
2-(3,4-dimethylphenyl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 64792942
N-(2-fluoro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64795370
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4-dimorpholin-4-ylphenyl)acetamide
CID 112771327
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylaminomethyl)phenyl]acetamide
CID 43601046
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylbenzoate
CID 17417015
N-(2,5-dimethoxyphenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 30273731
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide (CID 86787189) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide is Cc1noc(C)c1CC(=O)Nc1ccc(O)cc1F.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide?
The InChIKey is ZBEYKXNTTBFJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-7-10(8(2)19-16-7)6-13(18)15-12-4-3-9(17)5-11(12)14/h3-5,17H,6H2,1-2H3,(H,15,18).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide has a molecular weight of 264.26 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide is sourced from PubChem (CID 86787189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).