4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium

C3H5NO2P+ — CID 154424239

IUPAC4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium
SMILESO=[PH+]C1CC=NO1
InChIInChI=1S/C3H4NO2P/c5-7-3-1-2-4-6-3/h2-3H,1H2/p+1
InChIKeyLFBNANLQYLJYMB-UHFFFAOYSA-O
MW118.05 g/mol
LogP0.74
Rot. Bonds1

About 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium

4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium (PubChem CID 154424239) has the molecular formula C3H5NO2P+ and a molecular weight of 118.05 g/mol. Its IUPAC name is 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium.

Molecular Properties

Compound Name4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium
PubChem CID154424239
Molecular FormulaC3H5NO2P+
Molecular Weight118.05 g/mol
Exact Mass118.01
IUPAC Name4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium
SMILESO=[PH+]C1CC=NO1
InChIInChI=1S/C3H4NO2P/c5-7-3-1-2-4-6-3/h2-3H,1H2/p+1
InChIKeyLFBNANLQYLJYMB-UHFFFAOYSA-O
XLogP0.74
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.05
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-1,2-oxazol-5-ylphosphonic acid
CID 139747863
4,5-Dihydro-1,2-oxazole;hydroxy(oxo)phosphanium
CID 157721517
5-Phosphoroso-4,5-dihydro-1,2-oxazole
CID 88464996

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium?
The IUPAC name of 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium (CID 154424239) is 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium.
What is the SMILES notation for 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium?
The canonical SMILES for 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium is O=[PH+]C1CC=NO1.
What is the InChIKey of 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium?
The InChIKey is LFBNANLQYLJYMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4NO2P/c5-7-3-1-2-4-6-3/h2-3H,1H2/p+1.
What are the key properties of 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium?
4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium has a molecular weight of 118.05 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,2-oxazol-5-yl(oxo)phosphanium is sourced from PubChem (CID 154424239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).