4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide

C9H16N4O4 — CID 79548056

IUPAC4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCOC(CNC(=O)c1nonc1N)OCC
InChIInChI=1S/C9H16N4O4/c1-3-15-6(16-4-2)5-11-9(14)7-8(10)13-17-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyCWTFPMLUCOLPOZ-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.22
Rot. Bonds7

About 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 79548056) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID79548056
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC Name4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide
SMILESCCOC(CNC(=O)c1nonc1N)OCC
InChIInChI=1S/C9H16N4O4/c1-3-15-6(16-4-2)5-11-9(14)7-8(10)13-17-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKeyCWTFPMLUCOLPOZ-UHFFFAOYSA-N
XLogP-0.22
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide (CID 79548056) is 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide is CCOC(CNC(=O)c1nonc1N)OCC.
What is the InChIKey of 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CWTFPMLUCOLPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-3-15-6(16-4-2)5-11-9(14)7-8(10)13-17-12-7/h6H,3-5H2,1-2H3,(H2,10,13)(H,11,14).
What are the key properties of 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 244.25 g/mol, XLogP of -0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-diethoxyethyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 79548056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).