1-(3-methyl-1,2-oxazol-5-yl)ethanone

C6H7NO2 — CID 13001394

IUPAC1-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)c1cc(C)no1
InChIInChI=1S/C6H7NO2/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3
InChIKeyMOBMLOWIGFJSCP-UHFFFAOYSA-N
MW125.13 g/mol
LogP1.19
Rot. Bonds1

About 1-(3-methyl-1,2-oxazol-5-yl)ethanone

1-(3-methyl-1,2-oxazol-5-yl)ethanone (PubChem CID 13001394) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)ethanone
PubChem CID13001394
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)ethanone
SMILESCC(=O)c1cc(C)no1
InChIInChI=1S/C6H7NO2/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3
InChIKeyMOBMLOWIGFJSCP-UHFFFAOYSA-N
XLogP1.19
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)ethanone (CID 13001394) is 1-(3-methyl-1,2-oxazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)ethanone is CC(=O)c1cc(C)no1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)ethanone?
The InChIKey is MOBMLOWIGFJSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4-3-6(5(2)8)9-7-4/h3H,1-2H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)ethanone?
1-(3-methyl-1,2-oxazol-5-yl)ethanone has a molecular weight of 125.13 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)ethanone is sourced from PubChem (CID 13001394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).