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

C13H17NO3 — CID 640341

IUPAC1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(C2=NC(C)(C)CO2)c1C
InChIInChI=1S/C13H17NO3/c1-7-10(8(2)15)9(3)17-11(7)12-14-13(4,5)6-16-12/h6H2,1-5H3
InChIKeyKTFQDRVMISUWOU-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.65
Rot. Bonds2

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

1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone (PubChem CID 640341) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone
PubChem CID640341
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(C2=NC(C)(C)CO2)c1C
InChIInChI=1S/C13H17NO3/c1-7-10(8(2)15)9(3)17-11(7)12-14-13(4,5)6-16-12/h6H2,1-5H3
InChIKeyKTFQDRVMISUWOU-UHFFFAOYSA-N
XLogP2.65
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone (CID 640341) is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone is CC(=O)c1c(C)oc(C2=NC(C)(C)CO2)c1C.
What is the InChIKey of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone?
The InChIKey is KTFQDRVMISUWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-7-10(8(2)15)9(3)17-11(7)12-14-13(4,5)6-16-12/h6H2,1-5H3.
What are the key properties of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone?
1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone has a molecular weight of 235.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2,4-dimethylfuran-3-yl]ethanone is sourced from PubChem (CID 640341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).