ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate

C14H23N4O6P — CID 1119086

IUPACethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(P(=O)(N2CCOCC2)N2CCOCC2)noc1N
InChIInChI=1S/C14H23N4O6P/c1-2-23-14(19)11-12(15)24-16-13(11)25(20,17-3-7-21-8-4-17)18-5-9-22-10-6-18/h2-10,15H2,1H3
InChIKeyKKWJPHQYEVDYTO-UHFFFAOYSA-N
MW374.33 g/mol
LogP-0.08
Rot. Bonds5

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

ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate (PubChem CID 1119086) has the molecular formula C14H23N4O6P and a molecular weight of 374.33 g/mol. Its IUPAC name is ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate
PubChem CID1119086
Molecular FormulaC14H23N4O6P
Molecular Weight374.33 g/mol
Exact Mass374.14
IUPAC Nameethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(P(=O)(N2CCOCC2)N2CCOCC2)noc1N
InChIInChI=1S/C14H23N4O6P/c1-2-23-14(19)11-12(15)24-16-13(11)25(20,17-3-7-21-8-4-17)18-5-9-22-10-6-18/h2-10,15H2,1H3
InChIKeyKKWJPHQYEVDYTO-UHFFFAOYSA-N
XLogP-0.08
TPSA120.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 5-0.08
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-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate (CID 1119086) is ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(P(=O)(N2CCOCC2)N2CCOCC2)noc1N.
What is the InChIKey of ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate?
The InChIKey is KKWJPHQYEVDYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N4O6P/c1-2-23-14(19)11-12(15)24-16-13(11)25(20,17-3-7-21-8-4-17)18-5-9-22-10-6-18/h2-10,15H2,1H3.
What are the key properties of ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate?
ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate has a molecular weight of 374.33 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-dimorpholin-4-ylphosphoryl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 1119086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).