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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Related Compounds

ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate
CID 1119086
ethyl 5-amino-3-(4-bromophenyl)-1,2-oxazole-4-carboxylate
CID 59145411
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 5-amino-3-(3,4-dimethoxyphenyl)-1,2-oxazole-4-carboxylate
CID 25219814
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
ethyl 3-(diethoxyphosphorylmethyl)-1,2-oxazole-5-carboxylate
CID 71415665
ethyl 8-diethoxyphosphoryl-2,3,6-trimethylpyrrolo[1,2-b][1,2,4]triazine-7-carboxylate
CID 10642822
ethyl 5-methyl-3-propyl-1,2-oxazole-4-carboxylate
CID 66643541

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).