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

C9H15NO2 — CID 143224836

IUPAC1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane
SMILESCC.CC(=O)c1nc(C)oc1C
InChIInChI=1S/C7H9NO2.C2H6/c1-4(9)7-5(2)10-6(3)8-7;1-2/h1-3H3;1-2H3
InChIKeyUZUPWJKMWLYXQE-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.52
Rot. Bonds1

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

1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane (PubChem CID 143224836) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane
PubChem CID143224836
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane
SMILESCC.CC(=O)c1nc(C)oc1C
InChIInChI=1S/C7H9NO2.C2H6/c1-4(9)7-5(2)10-6(3)8-7;1-2/h1-3H3;1-2H3
InChIKeyUZUPWJKMWLYXQE-UHFFFAOYSA-N
XLogP2.52
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane?
The IUPAC name of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane (CID 143224836) is 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane.
What is the SMILES notation for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane?
The canonical SMILES for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane is CC.CC(=O)c1nc(C)oc1C.
What is the InChIKey of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane?
The InChIKey is UZUPWJKMWLYXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C2H6/c1-4(9)7-5(2)10-6(3)8-7;1-2/h1-3H3;1-2H3.
What are the key properties of 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane?
1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane has a molecular weight of 169.22 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone;ethane is sourced from PubChem (CID 143224836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).