4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide

C10H10ClN5O — CID 70642650

IUPAC4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1nonc1N
InChIInChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16)
InChIKeyJHYJFWRIHMWLKR-UHFFFAOYSA-N
MW251.68 g/mol
LogP1.21
Rot. Bonds3

About 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide

4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 70642650) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID70642650
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)c1nonc1N
InChIInChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16)
InChIKeyJHYJFWRIHMWLKR-UHFFFAOYSA-N
XLogP1.21
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide 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 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 70642650) is 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\Cc1ccccc1Cl)c1nonc1N.
What is the InChIKey of 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is JHYJFWRIHMWLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-7-4-2-1-3-6(7)5-14-9(12)8-10(13)16-17-15-8/h1-4H,5H2,(H2,12,14)(H2,13,16).
What are the key properties of 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 251.68 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 70642650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).