N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide

C8H14N4O — CID 14473602

IUPACN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide
SMILESCCc1noc(C/N=C/N(C)C)n1
InChIInChI=1S/C8H14N4O/c1-4-7-10-8(13-11-7)5-9-6-12(2)3/h6H,4-5H2,1-3H3/b9-6+
InChIKeyOINDCHZMTRULBK-RMKNXTFCSA-N
MW182.23 g/mol
LogP0.72
Rot. Bonds4

About N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide

N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide (PubChem CID 14473602) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide
PubChem CID14473602
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide
SMILESCCc1noc(C/N=C/N(C)C)n1
InChIInChI=1S/C8H14N4O/c1-4-7-10-8(13-11-7)5-9-6-12(2)3/h6H,4-5H2,1-3H3/b9-6+
InChIKeyOINDCHZMTRULBK-RMKNXTFCSA-N
XLogP0.72
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide (CID 14473602) is N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide is CCc1noc(C/N=C/N(C)C)n1.
What is the InChIKey of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide?
The InChIKey is OINDCHZMTRULBK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4-7-10-8(13-11-7)5-9-6-12(2)3/h6H,4-5H2,1-3H3/b9-6+.
What are the key properties of N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide?
N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide has a molecular weight of 182.23 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 14473602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).