dihydroxy(oxo)phosphanium;1,2-oxazole

C3H5NO4P+ — CID 159713576

IUPACdihydroxy(oxo)phosphanium;1,2-oxazole
SMILESO=[P+](O)O.c1cnoc1
InChIInChI=1S/C3H3NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h1-3H;(H-,1,2,3)/p+1
InChIKeyZPPQWBDKWSBXOQ-UHFFFAOYSA-O
MW150.05 g/mol
LogP0.30
Rot. Bonds

About dihydroxy(oxo)phosphanium;1,2-oxazole

dihydroxy(oxo)phosphanium;1,2-oxazole (PubChem CID 159713576) has the molecular formula C3H5NO4P+ and a molecular weight of 150.05 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1,2-oxazole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1,2-oxazole
PubChem CID159713576
Molecular FormulaC3H5NO4P+
Molecular Weight150.05 g/mol
Exact Mass150.00
IUPAC Namedihydroxy(oxo)phosphanium;1,2-oxazole
SMILESO=[P+](O)O.c1cnoc1
InChIInChI=1S/C3H3NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h1-3H;(H-,1,2,3)/p+1
InChIKeyZPPQWBDKWSBXOQ-UHFFFAOYSA-O
XLogP0.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1,2-oxazole?
The IUPAC name of dihydroxy(oxo)phosphanium;1,2-oxazole (CID 159713576) is dihydroxy(oxo)phosphanium;1,2-oxazole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1,2-oxazole?
The canonical SMILES for dihydroxy(oxo)phosphanium;1,2-oxazole is O=[P+](O)O.c1cnoc1.
What is the InChIKey of dihydroxy(oxo)phosphanium;1,2-oxazole?
The InChIKey is ZPPQWBDKWSBXOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h1-3H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1,2-oxazole?
dihydroxy(oxo)phosphanium;1,2-oxazole has a molecular weight of 150.05 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1,2-oxazole is sourced from PubChem (CID 159713576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).