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

C8H13ClN4O2 — CID 106956638

IUPAC2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nnc(CCl)o1
InChIInChI=1S/C8H13ClN4O2/c1-12(2)7(14)5-13(3)8-11-10-6(4-9)15-8/h4-5H2,1-3H3
InChIKeyUGHJECZKCOPXGV-UHFFFAOYSA-N
MW232.67 g/mol
LogP0.33
Rot. Bonds4

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

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 106956638) has the molecular formula C8H13ClN4O2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID106956638
Molecular FormulaC8H13ClN4O2
Molecular Weight232.67 g/mol
Exact Mass232.07
IUPAC Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(C)c1nnc(CCl)o1
InChIInChI=1S/C8H13ClN4O2/c1-12(2)7(14)5-13(3)8-11-10-6(4-9)15-8/h4-5H2,1-3H3
InChIKeyUGHJECZKCOPXGV-UHFFFAOYSA-N
XLogP0.33
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide (CID 106956638) is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(C)c1nnc(CCl)o1.
What is the InChIKey of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is UGHJECZKCOPXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O2/c1-12(2)7(14)5-13(3)8-11-10-6(4-9)15-8/h4-5H2,1-3H3.
What are the key properties of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide?
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 232.67 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 106956638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).