(1,3-oxazol-2-ylamino)methylphosphonic acid

C4H7N2O4P — CID 57259802

IUPAC(1,3-oxazol-2-ylamino)methylphosphonic acid
SMILESO=P(O)(O)CNc1ncco1
InChIInChI=1S/C4H7N2O4P/c7-11(8,9)3-6-4-5-1-2-10-4/h1-2H,3H2,(H,5,6)(H2,7,8,9)
InChIKeyYKVKZCZCXJGPNQ-UHFFFAOYSA-N
MW178.08 g/mol
LogP0.22
Rot. Bonds3

About (1,3-oxazol-2-ylamino)methylphosphonic acid

(1,3-oxazol-2-ylamino)methylphosphonic acid (PubChem CID 57259802) has the molecular formula C4H7N2O4P and a molecular weight of 178.08 g/mol. Its IUPAC name is (1,3-oxazol-2-ylamino)methylphosphonic acid.

Molecular Properties

Compound Name(1,3-oxazol-2-ylamino)methylphosphonic acid
PubChem CID57259802
Molecular FormulaC4H7N2O4P
Molecular Weight178.08 g/mol
Exact Mass178.01
IUPAC Name(1,3-oxazol-2-ylamino)methylphosphonic acid
SMILESO=P(O)(O)CNc1ncco1
InChIInChI=1S/C4H7N2O4P/c7-11(8,9)3-6-4-5-1-2-10-4/h1-2H,3H2,(H,5,6)(H2,7,8,9)
InChIKeyYKVKZCZCXJGPNQ-UHFFFAOYSA-N
XLogP0.22
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,3-oxazol-2-ylamino)methylphosphonic acid?
The IUPAC name of (1,3-oxazol-2-ylamino)methylphosphonic acid (CID 57259802) is (1,3-oxazol-2-ylamino)methylphosphonic acid.
What is the SMILES notation for (1,3-oxazol-2-ylamino)methylphosphonic acid?
The canonical SMILES for (1,3-oxazol-2-ylamino)methylphosphonic acid is O=P(O)(O)CNc1ncco1.
What is the InChIKey of (1,3-oxazol-2-ylamino)methylphosphonic acid?
The InChIKey is YKVKZCZCXJGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2O4P/c7-11(8,9)3-6-4-5-1-2-10-4/h1-2H,3H2,(H,5,6)(H2,7,8,9).
What are the key properties of (1,3-oxazol-2-ylamino)methylphosphonic acid?
(1,3-oxazol-2-ylamino)methylphosphonic acid has a molecular weight of 178.08 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-oxazol-2-ylamino)methylphosphonic acid is sourced from PubChem (CID 57259802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).