2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide

C9H15N2O5P — CID 53316479

IUPAC2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOP(=O)(CC(=O)Nc1ccon1)OCC
InChIInChI=1S/C9H15N2O5P/c1-3-15-17(13,16-4-2)7-9(12)10-8-5-6-14-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11,12)
InChIKeyHYBRZDDYJGCJJO-UHFFFAOYSA-N
MW262.20 g/mol
LogP1.88
Rot. Bonds7

About 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide

2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 53316479) has the molecular formula C9H15N2O5P and a molecular weight of 262.20 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
PubChem CID53316479
Molecular FormulaC9H15N2O5P
Molecular Weight262.20 g/mol
Exact Mass262.07
IUPAC Name2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide
SMILESCCOP(=O)(CC(=O)Nc1ccon1)OCC
InChIInChI=1S/C9H15N2O5P/c1-3-15-17(13,16-4-2)7-9(12)10-8-5-6-14-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11,12)
InChIKeyHYBRZDDYJGCJJO-UHFFFAOYSA-N
XLogP1.88
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
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-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide (CID 53316479) is 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide is CCOP(=O)(CC(=O)Nc1ccon1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is HYBRZDDYJGCJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O5P/c1-3-15-17(13,16-4-2)7-9(12)10-8-5-6-14-11-8/h5-6H,3-4,7H2,1-2H3,(H,10,11,12).
What are the key properties of 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide?
2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 262.20 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 53316479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).