2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

C9H15ClN4O3 — CID 106957148

IUPAC2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nnc(CCl)o1
InChIInChI=1S/C9H15ClN4O3/c1-14(6-7(15)11-3-4-16-2)9-13-12-8(5-10)17-9/h3-6H2,1-2H3,(H,11,15)
InChIKeyYMTOETYDPJLGAJ-UHFFFAOYSA-N
MW262.70 g/mol
LogP0.01
Rot. Bonds7

About 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 106957148) has the molecular formula C9H15ClN4O3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID106957148
Molecular FormulaC9H15ClN4O3
Molecular Weight262.70 g/mol
Exact Mass262.08
IUPAC Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nnc(CCl)o1
InChIInChI=1S/C9H15ClN4O3/c1-14(6-7(15)11-3-4-16-2)9-13-12-8(5-10)17-9/h3-6H2,1-2H3,(H,11,15)
InChIKeyYMTOETYDPJLGAJ-UHFFFAOYSA-N
XLogP0.01
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4,6-dichloro-1,3,5-triazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 55023792
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164
2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 114071706
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 106767470
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[[4-chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80692696
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261076
2-[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide
CID 80900030
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54989562

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide (CID 106957148) is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1nnc(CCl)o1.
What is the InChIKey of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is YMTOETYDPJLGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3/c1-14(6-7(15)11-3-4-16-2)9-13-12-8(5-10)17-9/h3-6H2,1-2H3,(H,11,15).
What are the key properties of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide?
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 262.70 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 106957148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).