ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate

C10H17N2O6P — CID 15311882

IUPACethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(P(=O)(OCC)OCC)noc1N
InChIInChI=1S/C10H17N2O6P/c1-4-15-10(13)7-8(11)18-12-9(7)19(14,16-5-2)17-6-3/h4-6,11H2,1-3H3
InChIKeyZEFDLTHQQJPFEF-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.32
Rot. Bonds7

About ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate

ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate (PubChem CID 15311882) has the molecular formula C10H17N2O6P and a molecular weight of 292.23 g/mol. Its IUPAC name is ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate
PubChem CID15311882
Molecular FormulaC10H17N2O6P
Molecular Weight292.23 g/mol
Exact Mass292.08
IUPAC Nameethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(P(=O)(OCC)OCC)noc1N
InChIInChI=1S/C10H17N2O6P/c1-4-15-10(13)7-8(11)18-12-9(7)19(14,16-5-2)17-6-3/h4-6,11H2,1-3H3
InChIKeyZEFDLTHQQJPFEF-UHFFFAOYSA-N
XLogP1.32
TPSA113.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate (CID 15311882) is ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(P(=O)(OCC)OCC)noc1N.
What is the InChIKey of ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate?
The InChIKey is ZEFDLTHQQJPFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O6P/c1-4-15-10(13)7-8(11)18-12-9(7)19(14,16-5-2)17-6-3/h4-6,11H2,1-3H3.
What are the key properties of ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate?
ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate has a molecular weight of 292.23 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15311882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).