N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide

C9H16N4O3 — CID 106399027

IUPACN-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCc1ncon1
InChIInChI=1S/C9H16N4O3/c1-7(9(14)10-3-4-15-2)11-5-8-12-6-16-13-8/h6-7,11H,3-5H2,1-2H3,(H,10,14)
InChIKeyYGNUFRPMOQJPLP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.69
Rot. Bonds7

About N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide

N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide (PubChem CID 106399027) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
PubChem CID106399027
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC NameN-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
SMILESCOCCNC(=O)C(C)NCc1ncon1
InChIInChI=1S/C9H16N4O3/c1-7(9(14)10-3-4-15-2)11-5-8-12-6-16-13-8/h6-7,11H,3-5H2,1-2H3,(H,10,14)
InChIKeyYGNUFRPMOQJPLP-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
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

N-(3-methoxypropyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106398768
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931
N-(2-methoxyethyl)-2-[(5-methylthiophen-2-yl)methylamino]propanamide
CID 62056243
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
2-(furan-2-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 43086708
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
N-(1,2,4-oxadiazol-3-ylmethyl)-2-propan-2-yloxyethanamine
CID 106398904
N-carbamoyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106401246
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998
2-[2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)ethoxy]acetic acid
CID 106403554

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide (CID 106399027) is N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide is COCCNC(=O)C(C)NCc1ncon1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide?
The InChIKey is YGNUFRPMOQJPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-7(9(14)10-3-4-15-2)11-5-8-12-6-16-13-8/h6-7,11H,3-5H2,1-2H3,(H,10,14).
What are the key properties of N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide?
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide has a molecular weight of 228.25 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide is sourced from PubChem (CID 106399027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).