3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole

C8H8FNO — CID 168863332

IUPAC3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole
SMILESFC12CC(c3ccon3)(C1)C2
InChIInChI=1S/C8H8FNO/c9-8-3-7(4-8,5-8)6-1-2-11-10-6/h1-2H,3-5H2
InChIKeyWGTJBEZRLULLPG-UHFFFAOYSA-N
MW153.16 g/mol
LogP1.82
Rot. Bonds1

About 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole

3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole (PubChem CID 168863332) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole
PubChem CID168863332
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole
SMILESFC12CC(c3ccon3)(C1)C2
InChIInChI=1S/C8H8FNO/c9-8-3-7(4-8,5-8)6-1-2-11-10-6/h1-2H,3-5H2
InChIKeyWGTJBEZRLULLPG-UHFFFAOYSA-N
XLogP1.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole?
The IUPAC name of 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole (CID 168863332) is 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole.
What is the SMILES notation for 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole?
The canonical SMILES for 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole is FC12CC(c3ccon3)(C1)C2.
What is the InChIKey of 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole?
The InChIKey is WGTJBEZRLULLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO/c9-8-3-7(4-8,5-8)6-1-2-11-10-6/h1-2H,3-5H2.
What are the key properties of 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole?
3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole has a molecular weight of 153.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-1,2-oxazole is sourced from PubChem (CID 168863332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).