N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

C9H16N4O3 — CID 83040024

IUPACN-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCOCCNCCNC(=O)c1noc(C)n1
InChIInChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)9(14)11-4-3-10-5-6-15-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyZJMDZWNAMMNSLJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.66
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 83040024) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID83040024
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCOCCNCCNC(=O)c1noc(C)n1
InChIInChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)9(14)11-4-3-10-5-6-15-2/h10H,3-6H2,1-2H3,(H,11,14)
InChIKeyZJMDZWNAMMNSLJ-UHFFFAOYSA-N
XLogP-0.66
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 83040024) is N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is COCCNCCNC(=O)c1noc(C)n1.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is ZJMDZWNAMMNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7-12-8(13-16-7)9(14)11-4-3-10-5-6-15-2/h10H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 83040024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).