N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane

C19H20N6O3 — CID 173038968

IUPACN-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
SMILESCOC.Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccccc1
InChIInChI=1S/C17H14N6O2.C2H6O/c18-16-15(21-25-22-16)17-19-12-8-4-5-9-14(12)23(17)10-13(20-24)11-6-2-1-3-7-11;1-3-2/h1-9,24H,10H2,(H2,18,22);1-2H3
InChIKeyYRZUZNKYIDUXCL-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.81
Rot. Bonds4

About N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane

N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane (PubChem CID 173038968) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane.

Molecular Properties

Compound NameN-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
PubChem CID173038968
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
SMILESCOC.Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccccc1
InChIInChI=1S/C17H14N6O2.C2H6O/c18-16-15(21-25-22-16)17-19-12-8-4-5-9-14(12)23(17)10-13(20-24)11-6-2-1-3-7-11;1-3-2/h1-9,24H,10H2,(H2,18,22);1-2H3
InChIKeyYRZUZNKYIDUXCL-UHFFFAOYSA-N
XLogP2.81
TPSA124.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
CID 173038985
4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 72806687
4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 11280377
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16762989
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-methylquinolin-6-yl)acetamide
CID 1259483
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(E)-(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135679495
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 10308401
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[(4-ethylphenyl)methylideneamino]acetamide
CID 4890167
N-(2-aminoethyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide;2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-hydroxyethyl)acetamide;methane
CID 159795425

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane?
The IUPAC name of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane (CID 173038968) is N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane.
What is the SMILES notation for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane?
The canonical SMILES for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane is COC.Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccccc1.
What is the InChIKey of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane?
The InChIKey is YRZUZNKYIDUXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2.C2H6O/c18-16-15(21-25-22-16)17-19-12-8-4-5-9-14(12)23(17)10-13(20-24)11-6-2-1-3-7-11;1-3-2/h1-9,24H,10H2,(H2,18,22);1-2H3.
What are the key properties of N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane?
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane has a molecular weight of 380.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane is sourced from PubChem (CID 173038968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).