1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone

C15H17NO2 — CID 82293699

IUPAC1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)11(4)14(10(8)3)15-13(12(5)17)7-16-18-15/h6-7H,1-5H3
InChIKeyIETAUIVBVSKBEU-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.78
Rot. Bonds2

About 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone

1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone (PubChem CID 82293699) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
PubChem CID82293699
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C15H17NO2/c1-8-6-9(2)11(4)14(10(8)3)15-13(12(5)17)7-16-18-15/h6-7H,1-5H3
InChIKeyIETAUIVBVSKBEU-UHFFFAOYSA-N
XLogP3.78
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 58063079
1-[5-(5-methylthiophen-2-yl)-1,2-oxazol-4-yl]ethanone
CID 115093686
1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82282350
1-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
CID 82281258
(4-acetyl-1,2-oxazol-5-yl)-trimethylazanium
CID 123689319
1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
CID 95466052
1-(5-tert-butyl-1,2-oxazol-4-yl)ethanone
CID 84652672
1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
CID 82301037
1-[5-(2,3,5,6-tetramethylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880650
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 131400101

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone (CID 82293699) is 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1c(C)c(C)cc(C)c1C.
What is the InChIKey of 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is IETAUIVBVSKBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-6-9(2)11(4)14(10(8)3)15-13(12(5)17)7-16-18-15/h6-7H,1-5H3.
What are the key properties of 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone?
1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone has a molecular weight of 243.31 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 82293699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).