5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole

C9H15NO2 — CID 19698744

IUPAC5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole
SMILESCC(OC(C)(C)C)c1ccno1
InChIInChI=1S/C9H15NO2/c1-7(11-9(2,3)4)8-5-6-10-12-8/h5-7H,1-4H3
InChIKeyTYVBPLMAZIYBNF-UHFFFAOYSA-N
MW169.22 g/mol
LogP2.55
Rot. Bonds2

About 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole

5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole (PubChem CID 19698744) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole
PubChem CID19698744
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole
SMILESCC(OC(C)(C)C)c1ccno1
InChIInChI=1S/C9H15NO2/c1-7(11-9(2,3)4)8-5-6-10-12-8/h5-7H,1-4H3
InChIKeyTYVBPLMAZIYBNF-UHFFFAOYSA-N
XLogP2.55
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
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-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole?
The IUPAC name of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole (CID 19698744) is 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole.
What is the SMILES notation for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole?
The canonical SMILES for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole is CC(OC(C)(C)C)c1ccno1.
What is the InChIKey of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole?
The InChIKey is TYVBPLMAZIYBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(11-9(2,3)4)8-5-6-10-12-8/h5-7H,1-4H3.
What are the key properties of 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole?
5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole has a molecular weight of 169.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,2-oxazole is sourced from PubChem (CID 19698744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).