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

C12H11NO2 — CID 82282350

IUPAC1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1cccc(C)c1
InChIInChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3
InChIKeyLABNFQUEVVYVTO-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.85
Rot. Bonds2

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

1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone (PubChem CID 82282350) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
PubChem CID82282350
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone
SMILESCC(=O)c1cnoc1-c1cccc(C)c1
InChIInChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3
InChIKeyLABNFQUEVVYVTO-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-[5-(1-methylpyrrol-3-yl)-1,2-oxazol-4-yl]ethanone
CID 82281258
1-[5-(2,3,5,6-tetramethylphenyl)-1,2-oxazol-4-yl]ethanone
CID 82293699
5-(3,4-difluorophenyl)-N-[(3-methylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 110647969
1-[5-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-oxazol-4-yl]ethanone
CID 82301037
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
1-[5-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-4-yl]ethanone
CID 95466052
N-(3-acetamidophenyl)-5-(4-fluorophenyl)-1,2-oxazole-4-carboxamide
CID 110650555
(4-acetyl-1,2-oxazol-5-yl)-trimethylazanium
CID 123689319
dimethyl 2-(3-methylphenyl)furan-3,4-dicarboxylate
CID 141186946
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
formic acid;3-methyl-5-(3-methylphenyl)-1,2-oxazole
CID 176993673
5-(3-methylphenyl)-1,3,4-oxadiazole-2-carboxylic acid
CID 39240671

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The IUPAC name of 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone (CID 82282350) is 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone is CC(=O)c1cnoc1-c1cccc(C)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
The InChIKey is LABNFQUEVVYVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)12-11(9(2)14)7-13-15-12/h3-7H,1-2H3.
What are the key properties of 1-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone?
1-[5-(3-methylphenyl)-1,2-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-[5-(3-methylphenyl)-1,2-oxazol-4-yl]ethanone is sourced from PubChem (CID 82282350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).