(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid

C5H7N2O6P — CID 22280622

IUPAC(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid
SMILESNc1nc(C(=O)OCP(=O)(O)O)co1
InChIInChI=1S/C5H7N2O6P/c6-5-7-3(1-12-5)4(8)13-2-14(9,10)11/h1H,2H2,(H2,6,7)(H2,9,10,11)
InChIKeyHYWMTSVUDQKOAZ-UHFFFAOYSA-N
MW222.09 g/mol
LogP-0.45
Rot. Bonds3

About (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid

(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid (PubChem CID 22280622) has the molecular formula C5H7N2O6P and a molecular weight of 222.09 g/mol. Its IUPAC name is (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid.

Molecular Properties

Compound Name(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid
PubChem CID22280622
Molecular FormulaC5H7N2O6P
Molecular Weight222.09 g/mol
Exact Mass222.00
IUPAC Name(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid
SMILESNc1nc(C(=O)OCP(=O)(O)O)co1
InChIInChI=1S/C5H7N2O6P/c6-5-7-3(1-12-5)4(8)13-2-14(9,10)11/h1H,2H2,(H2,6,7)(H2,9,10,11)
InChIKeyHYWMTSVUDQKOAZ-UHFFFAOYSA-N
XLogP-0.45
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid?
The IUPAC name of (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid (CID 22280622) is (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid.
What is the SMILES notation for (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid?
The canonical SMILES for (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid is Nc1nc(C(=O)OCP(=O)(O)O)co1.
What is the InChIKey of (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid?
The InChIKey is HYWMTSVUDQKOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O6P/c6-5-7-3(1-12-5)4(8)13-2-14(9,10)11/h1H,2H2,(H2,6,7)(H2,9,10,11).
What are the key properties of (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid?
(2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid has a molecular weight of 222.09 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,3-oxazole-4-carbonyl)oxymethylphosphonic acid is sourced from PubChem (CID 22280622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).