1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone

C7H11NO2 — CID 144552599

IUPAC1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C7H11NO2/c1-5(9)6-4-7(2,3)10-8-6/h4H2,1-3H3
InChIKeyLMBYXSBHAMCETD-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.13
Rot. Bonds1

About 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone

1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone (PubChem CID 144552599) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone
PubChem CID144552599
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone
SMILESCC(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C7H11NO2/c1-5(9)6-4-7(2,3)10-8-6/h4H2,1-3H3
InChIKeyLMBYXSBHAMCETD-UHFFFAOYSA-N
XLogP1.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1'R,4'S)-2',2'-dimethylspiro[4H-1,2-oxazole-5,3'-bicyclo[2.2.1]heptane]-3-yl]ethanone
CID 51349801
O-ethyl 5,5-dimethyl-4H-1,2-oxazole-3-carbothioate
CID 166070033
ethane;3,5,5-trimethyl-4H-1,2-oxazole
CID 143045754
5-carbamoyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 117274241
3-acetylspiro[4H-1,2-oxazole-5,1'-naphthalene]-2'-one
CID 177476940
1-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfanylmethyl]-2-methyltriazol-4-yl]ethanone
CID 59138054
1-(4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 143618113
3-acetyl-4H-1,2-oxazol-5-one
CID 83856570
N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine
CID 173040717
1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418662
N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-5,5-dimethyl-4H-1,2-oxazole-3-carboxamide
CID 130362921
1-(4-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 121003381

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone (CID 144552599) is 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone is CC(=O)C1=NOC(C)(C)C1.
What is the InChIKey of 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone?
The InChIKey is LMBYXSBHAMCETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)6-4-7(2,3)10-8-6/h4H2,1-3H3.
What are the key properties of 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone?
1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone has a molecular weight of 141.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 144552599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).