5-(2,5-dimethylfuran-3-yl)-1,2-oxazole

C9H9NO2 — CID 65239914

IUPAC5-(2,5-dimethylfuran-3-yl)-1,2-oxazole
SMILESCc1cc(-c2ccno2)c(C)o1
InChIInChI=1S/C9H9NO2/c1-6-5-8(7(2)11-6)9-3-4-10-12-9/h3-5H,1-2H3
InChIKeyMKJJGTKTNXEGAJ-UHFFFAOYSA-N
MW163.18 g/mol
LogP2.55
Rot. Bonds1

About 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole

5-(2,5-dimethylfuran-3-yl)-1,2-oxazole (PubChem CID 65239914) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(2,5-dimethylfuran-3-yl)-1,2-oxazole
PubChem CID65239914
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name5-(2,5-dimethylfuran-3-yl)-1,2-oxazole
SMILESCc1cc(-c2ccno2)c(C)o1
InChIInChI=1S/C9H9NO2/c1-6-5-8(7(2)11-6)9-3-4-10-12-9/h3-5H,1-2H3
InChIKeyMKJJGTKTNXEGAJ-UHFFFAOYSA-N
XLogP2.55
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole?
The IUPAC name of 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole (CID 65239914) is 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole.
What is the SMILES notation for 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole?
The canonical SMILES for 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole is Cc1cc(-c2ccno2)c(C)o1.
What is the InChIKey of 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole?
The InChIKey is MKJJGTKTNXEGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-6-5-8(7(2)11-6)9-3-4-10-12-9/h3-5H,1-2H3.
What are the key properties of 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole?
5-(2,5-dimethylfuran-3-yl)-1,2-oxazole has a molecular weight of 163.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylfuran-3-yl)-1,2-oxazole is sourced from PubChem (CID 65239914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).