ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

C11H14NO4P — CID 3079422

IUPACethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCCOP(=O)(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO4P/c1-2-15-17(13,14)11-8-10(12-16-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,14)
InChIKeyJZBAVDDACOJGIK-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.36
Rot. Bonds4

About ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (PubChem CID 3079422) has the molecular formula C11H14NO4P and a molecular weight of 255.21 g/mol. Its IUPAC name is ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
PubChem CID3079422
Molecular FormulaC11H14NO4P
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Nameethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCCOP(=O)(O)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C11H14NO4P/c1-2-15-17(13,14)11-8-10(12-16-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,14)
InChIKeyJZBAVDDACOJGIK-UHFFFAOYSA-N
XLogP2.36
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.36
H-Bond Donors ≤ 51
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 ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The IUPAC name of ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (CID 3079422) is ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.
What is the SMILES notation for ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The canonical SMILES for ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is CCOP(=O)(O)C1CC(c2ccccc2)=NO1.
What is the InChIKey of ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The InChIKey is JZBAVDDACOJGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO4P/c1-2-15-17(13,14)11-8-10(12-16-11)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H,13,14).
What are the key properties of ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid has a molecular weight of 255.21 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is sourced from PubChem (CID 3079422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).