N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide

C9H16N4O3 — CID 106659899

IUPACN-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(C)no1
InChIInChI=1S/C9H16N4O3/c1-7-12-9(16-13-7)11-4-3-8(14)10-5-6-15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyREIHPPILKDYJDH-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.06
Rot. Bonds7

About N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide

N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide (PubChem CID 106659899) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
PubChem CID106659899
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide
SMILESCOCCNC(=O)CCNc1nc(C)no1
InChIInChI=1S/C9H16N4O3/c1-7-12-9(16-13-7)11-4-3-8(14)10-5-6-15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeyREIHPPILKDYJDH-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
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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Related Compounds

methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
3-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
CID 106964385
3-[(5,6-dimethylpyrazin-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114476137
N-(2-methoxyethyl)-3-(4-methylanilino)propanamide
CID 109015045
N-(2-methoxyethyl)-2-[methyl-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]acetamide
CID 94000803
N-(2-methoxyethyl)-3-(2,4,6-trimethylanilino)propanamide
CID 109015060
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
3-[(5-aminopyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 113409561
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
3-[(4-chloro-5-cyano-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)propanamide
CID 106595779

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide (CID 106659899) is N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide is COCCNC(=O)CCNc1nc(C)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide?
The InChIKey is REIHPPILKDYJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7-12-9(16-13-7)11-4-3-8(14)10-5-6-15-2/h3-6H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide?
N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide has a molecular weight of 228.25 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 106659899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).