2-(1-fluoropropyl)-1,3-oxazole

C6H8FNO — CID 166858113

IUPAC2-(1-fluoropropyl)-1,3-oxazole
SMILESCCC(F)c1ncco1
InChIInChI=1S/C6H8FNO/c1-2-5(7)6-8-3-4-9-6/h3-5H,2H2,1H3
InChIKeyMUABOVZBGSRHGL-UHFFFAOYSA-N
MW129.13 g/mol
LogP2.10
Rot. Bonds2

About 2-(1-fluoropropyl)-1,3-oxazole

2-(1-fluoropropyl)-1,3-oxazole (PubChem CID 166858113) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 2-(1-fluoropropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1-fluoropropyl)-1,3-oxazole
PubChem CID166858113
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name2-(1-fluoropropyl)-1,3-oxazole
SMILESCCC(F)c1ncco1
InChIInChI=1S/C6H8FNO/c1-2-5(7)6-8-3-4-9-6/h3-5H,2H2,1H3
InChIKeyMUABOVZBGSRHGL-UHFFFAOYSA-N
XLogP2.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropyl)-1,3-oxazole?
The IUPAC name of 2-(1-fluoropropyl)-1,3-oxazole (CID 166858113) is 2-(1-fluoropropyl)-1,3-oxazole.
What is the SMILES notation for 2-(1-fluoropropyl)-1,3-oxazole?
The canonical SMILES for 2-(1-fluoropropyl)-1,3-oxazole is CCC(F)c1ncco1.
What is the InChIKey of 2-(1-fluoropropyl)-1,3-oxazole?
The InChIKey is MUABOVZBGSRHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c1-2-5(7)6-8-3-4-9-6/h3-5H,2H2,1H3.
What are the key properties of 2-(1-fluoropropyl)-1,3-oxazole?
2-(1-fluoropropyl)-1,3-oxazole has a molecular weight of 129.13 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropyl)-1,3-oxazole is sourced from PubChem (CID 166858113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).