oxalonitrile;1,3-oxazole;hydrofluoride

C5H4FN3O — CID 174970649

IUPACoxalonitrile;1,3-oxazole;hydrofluoride
SMILESF.N#CC#N.c1cocn1
InChIInChI=1S/C3H3NO.C2N2.FH/c1-2-5-3-4-1;3-1-2-4;/h1-3H;;1H
InChIKeySTTISASKWFNQBK-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.86
Rot. Bonds

About oxalonitrile;1,3-oxazole;hydrofluoride

oxalonitrile;1,3-oxazole;hydrofluoride (PubChem CID 174970649) has the molecular formula C5H4FN3O and a molecular weight of 141.10 g/mol. Its IUPAC name is oxalonitrile;1,3-oxazole;hydrofluoride.

Molecular Properties

Compound Nameoxalonitrile;1,3-oxazole;hydrofluoride
PubChem CID174970649
Molecular FormulaC5H4FN3O
Molecular Weight141.10 g/mol
Exact Mass141.03
IUPAC Nameoxalonitrile;1,3-oxazole;hydrofluoride
SMILESF.N#CC#N.c1cocn1
InChIInChI=1S/C3H3NO.C2N2.FH/c1-2-5-3-4-1;3-1-2-4;/h1-3H;;1H
InChIKeySTTISASKWFNQBK-UHFFFAOYSA-N
XLogP0.86
TPSA73.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxalonitrile;1,3-oxazole;hydrofluoride?
The IUPAC name of oxalonitrile;1,3-oxazole;hydrofluoride (CID 174970649) is oxalonitrile;1,3-oxazole;hydrofluoride.
What is the SMILES notation for oxalonitrile;1,3-oxazole;hydrofluoride?
The canonical SMILES for oxalonitrile;1,3-oxazole;hydrofluoride is F.N#CC#N.c1cocn1.
What is the InChIKey of oxalonitrile;1,3-oxazole;hydrofluoride?
The InChIKey is STTISASKWFNQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3NO.C2N2.FH/c1-2-5-3-4-1;3-1-2-4;/h1-3H;;1H.
What are the key properties of oxalonitrile;1,3-oxazole;hydrofluoride?
oxalonitrile;1,3-oxazole;hydrofluoride has a molecular weight of 141.10 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalonitrile;1,3-oxazole;hydrofluoride is sourced from PubChem (CID 174970649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).