5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

C8H16N4O2 — CID 110456081

IUPAC5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnc(CN(C)C)o1
InChIInChI=1S/C8H16N4O2/c1-12(2)6-7-10-11-8(14-7)9-4-5-13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyCDOMABYDXNGFHQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.19
Rot. Bonds6

About 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine

5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 110456081) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
PubChem CID110456081
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNc1nnc(CN(C)C)o1
InChIInChI=1S/C8H16N4O2/c1-12(2)6-7-10-11-8(14-7)9-4-5-13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyCDOMABYDXNGFHQ-UHFFFAOYSA-N
XLogP0.19
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine 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 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine (CID 110456081) is 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is COCCNc1nnc(CN(C)C)o1.
What is the InChIKey of 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is CDOMABYDXNGFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-12(2)6-7-10-11-8(14-7)9-4-5-13-3/h4-6H2,1-3H3,(H,9,11).
What are the key properties of 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine?
5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 200.24 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-N-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110456081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).