Basic information
- CAS
188472-37-9- Standard SMILES
CCOC(=O)Nc1c[n+](N2CCOCC2)no1- InChIKey
XLFWDASMENKTKL-UHFFFAOYSA-O- Molecular formula
- C9H15N4O4+
- Average molar mass
- 243.24 g/mol
- Monoisotopic mass
- 243.10932997
Overview
N-[3-(4-morpholinyl)-5-oxadiazol-3-iumyl]carbamic acid ethyl ester is a member of morpholines.
Names & identifiers
- Preferred name
- 1,2,3-Oxadiazolium, 5-((ethoxycarbonyl)amino)-3-(4-morpholinyl)-
- IUPAC
- ethyl N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)carbamate
Names & synonyms
DTXSID60860349188472-37-91,2,3-Oxadiazolium, 5-((ethoxycarbonyl)amino)-3-(4-morpholinyl)-1,2,3-Oxadiazolium, 5-[(ethoxycarbonyl)amino]-3-(4-morpholinyl)-RefChem:1051978DTXCID90209924CorunoSIN-10SR-01000003151N-Carboxy-3-morpholinosydnonimine ethyl esterN-(Ethoxycarbonyl)-3-(4-morpholinyl)sydnone imineSydnone imine, N-carboxy-3-morpholino-, ethyl ester
Show more names
KBio3_002188Spectrum_000276Prestwick0_000547Prestwick1_000547Prestwick2_000547Spectrum2_001178Spectrum3_001384Spectrum4_000808
Database identifiers
- CAS
188472-37-9- PubChem CID
- 4239
- DTXSID
DTXSID60860349- ChEBI
CHEBI:114179
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 1
- Complexity
- 259
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals
Related reactions
0 records
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Compound notes
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