5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole

C6H9FN2O — CID 157213513

IUPAC5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(CF)c1ncno1
InChIInChI=1S/C6H9FN2O/c1-6(2,3-7)5-8-4-9-10-5/h4H,3H2,1-2H3
InChIKeyASDPQTFBBUWHJH-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.32
Rot. Bonds2

About 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole

5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 157213513) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID157213513
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(CF)c1ncno1
InChIInChI=1S/C6H9FN2O/c1-6(2,3-7)5-8-4-9-10-5/h4H,3H2,1-2H3
InChIKeyASDPQTFBBUWHJH-UHFFFAOYSA-N
XLogP1.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole (CID 157213513) is 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(CF)c1ncno1.
What is the InChIKey of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is ASDPQTFBBUWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c1-6(2,3-7)5-8-4-9-10-5/h4H,3H2,1-2H3.
What are the key properties of 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole?
5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 144.15 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoro-2-methylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 157213513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).