4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium

C3H7NO4P+ — CID 21476066

IUPAC4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium
SMILESC1=NOCC1.O=[P+](O)O
InChIInChI=1S/C3H5NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h2H,1,3H2;(H-,1,2,3)/p+1
InChIKeyLOPGOQHTQJFCSI-UHFFFAOYSA-O
MW152.07 g/mol
LogP0.02
Rot. Bonds

About 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium

4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium (PubChem CID 21476066) has the molecular formula C3H7NO4P+ and a molecular weight of 152.07 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium
PubChem CID21476066
Molecular FormulaC3H7NO4P+
Molecular Weight152.07 g/mol
Exact Mass152.01
IUPAC Name4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium
SMILESC1=NOCC1.O=[P+](O)O
InChIInChI=1S/C3H5NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h2H,1,3H2;(H-,1,2,3)/p+1
InChIKeyLOPGOQHTQJFCSI-UHFFFAOYSA-O
XLogP0.02
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 50.02
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 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium?
The IUPAC name of 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium (CID 21476066) is 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium.
What is the SMILES notation for 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium?
The canonical SMILES for 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium is C1=NOCC1.O=[P+](O)O.
What is the InChIKey of 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium?
The InChIKey is LOPGOQHTQJFCSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H5NO.HO3P/c1-2-4-5-3-1;1-4(2)3/h2H,1,3H2;(H-,1,2,3)/p+1.
What are the key properties of 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium?
4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium has a molecular weight of 152.07 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazole;dihydroxy(oxo)phosphanium is sourced from PubChem (CID 21476066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).