2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile

C10H7FN2O — CID 83859292

IUPAC2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile
SMILESCC(C#N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C10H7FN2O/c1-6(5-12)10-13-8-4-7(11)2-3-9(8)14-10/h2-4,6H,1H3
InChIKeyHQLOSCRKJPYKBF-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.59
Rot. Bonds1

About 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile

2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile (PubChem CID 83859292) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile
PubChem CID83859292
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile
SMILESCC(C#N)c1nc2cc(F)ccc2o1
InChIInChI=1S/C10H7FN2O/c1-6(5-12)10-13-8-4-7(11)2-3-9(8)14-10/h2-4,6H,1H3
InChIKeyHQLOSCRKJPYKBF-UHFFFAOYSA-N
XLogP2.59
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile?
The IUPAC name of 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile (CID 83859292) is 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile.
What is the SMILES notation for 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile?
The canonical SMILES for 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile is CC(C#N)c1nc2cc(F)ccc2o1.
What is the InChIKey of 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile?
The InChIKey is HQLOSCRKJPYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c1-6(5-12)10-13-8-4-7(11)2-3-9(8)14-10/h2-4,6H,1H3.
What are the key properties of 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile?
2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile has a molecular weight of 190.18 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1,3-benzoxazol-2-yl)propanenitrile is sourced from PubChem (CID 83859292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).