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

C7H10N2O2 — CID 83872709

IUPAC1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(N(C)C)n1
InChIInChI=1S/C7H10N2O2/c1-5(10)6-4-11-7(8-6)9(2)3/h4H,1-3H3
InChIKeyRLNOVYJREGVVGM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.94
Rot. Bonds2

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

1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone (PubChem CID 83872709) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone
PubChem CID83872709
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(N(C)C)n1
InChIInChI=1S/C7H10N2O2/c1-5(10)6-4-11-7(8-6)9(2)3/h4H,1-3H3
InChIKeyRLNOVYJREGVVGM-UHFFFAOYSA-N
XLogP0.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone (CID 83872709) is 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone?
The InChIKey is RLNOVYJREGVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(10)6-4-11-7(8-6)9(2)3/h4H,1-3H3.
What are the key properties of 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone?
1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone has a molecular weight of 154.17 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 83872709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).