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

C12H15NO3 — CID 14973107

IUPAC1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc(C2=NC(C)(C)CO2)oc1C
InChIInChI=1S/C12H15NO3/c1-7(14)9-5-10(16-8(9)2)11-13-12(3,4)6-15-11/h5H,6H2,1-4H3
InChIKeyZZYZVHUIVIZQCW-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.35
Rot. Bonds2

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

1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone (PubChem CID 14973107) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone
PubChem CID14973107
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone
SMILESCC(=O)c1cc(C2=NC(C)(C)CO2)oc1C
InChIInChI=1S/C12H15NO3/c1-7(14)9-5-10(16-8(9)2)11-13-12(3,4)6-15-11/h5H,6H2,1-4H3
InChIKeyZZYZVHUIVIZQCW-UHFFFAOYSA-N
XLogP2.35
TPSA51.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.35
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-methylfuran-3-yl]ethanone?
The IUPAC name of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone (CID 14973107) is 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone.
What is the SMILES notation for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone?
The canonical SMILES for 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone is CC(=O)c1cc(C2=NC(C)(C)CO2)oc1C.
What is the InChIKey of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone?
The InChIKey is ZZYZVHUIVIZQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-7(14)9-5-10(16-8(9)2)11-13-12(3,4)6-15-11/h5H,6H2,1-4H3.
What are the key properties of 1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone?
1-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methylfuran-3-yl]ethanone has a molecular weight of 221.26 g/mol, XLogP of 2.35, 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-methylfuran-3-yl]ethanone is sourced from PubChem (CID 14973107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).