1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone

C12H11NO2 — CID 115084506

IUPAC1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3
InChIKeySNCJAKNQLQEIFC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

About 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone

1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone (PubChem CID 115084506) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone
PubChem CID115084506
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3
InChIKeySNCJAKNQLQEIFC-UHFFFAOYSA-N
XLogP2.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]ethanone
CID 115084507
1-[2-(furan-2-yl)-1,3-oxazol-4-yl]ethanone
CID 115083525
1-[2-[4-hydroxy-3-(2-methylpropoxy)phenyl]-1,3-oxazol-4-yl]ethanone
CID 136999817
2-(4-cyanophenyl)-1,3-oxazole-4-carboxylic acid
CID 62234615
1-[2-[2-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanone
CID 115084393
2-(3,4-dichlorophenyl)-N-(2,5-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 84552788
2-[4-(2,4,4-trimethylpentan-2-yl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 172634567
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
N-(4-methylphenyl)sulfonyl-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 167967424
2-(4-methylphenyl)-N-[[1-[(4-methylphenyl)methyl]triazol-4-yl]methyl]-1,3-oxazole-4-carboxamide
CID 58120099
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
1-(4-fluorophenyl)-3-[4-[4-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]urea
CID 50835548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone (CID 115084506) is 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone?
The InChIKey is SNCJAKNQLQEIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)12-13-11(7-15-12)9(2)14/h3-7H,1-2H3.
What are the key properties of 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone?
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone has a molecular weight of 201.22 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115084506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).