N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide

C12H15N3O5 — CID 76935447

IUPACN'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])ccc1OCC1CCOC1
InChIInChI=1S/C12H15N3O5/c13-12(14-16)10-5-9(15(17)18)1-2-11(10)20-7-8-3-4-19-6-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,14)
InChIKeyZYZUBOTZGVUZIN-UHFFFAOYSA-N
MW281.27 g/mol
LogP1.10
Rot. Bonds5

About N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide

N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide (PubChem CID 76935447) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide
PubChem CID76935447
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC NameN'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])ccc1OCC1CCOC1
InChIInChI=1S/C12H15N3O5/c13-12(14-16)10-5-9(15(17)18)1-2-11(10)20-7-8-3-4-19-6-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,14)
InChIKeyZYZUBOTZGVUZIN-UHFFFAOYSA-N
XLogP1.10
TPSA120.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide 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-[[5-nitro-2-(oxolan-3-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 61313625
N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
N'-hydroxy-2-methoxy-5-nitrobenzenecarboximidamide
CID 76934973
[3-nitro-4-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 61313011
N'-hydroxy-5-nitro-2-(2-pyrrolidin-1-ylethoxy)benzenecarboximidamide
CID 76935388
2-(cyclopentylmethoxy)-5-nitrobenzoic acid
CID 61343557
N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874778
N'-hydroxy-2-(2-methylbutan-2-yloxy)-5-nitrobenzenecarboximidamide
CID 76935214
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]-5-nitrobenzenecarboximidamide
CID 76934968
N'-hydroxy-2-(3-methylmorpholin-4-yl)-5-nitrobenzenecarboximidamide
CID 76935210
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
CID 136845279
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5-nitrobenzenecarboximidamide
CID 76950933

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide (CID 76935447) is N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide is NC(=NO)c1cc([N+](=O)[O-])ccc1OCC1CCOC1.
What is the InChIKey of N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide?
The InChIKey is ZYZUBOTZGVUZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c13-12(14-16)10-5-9(15(17)18)1-2-11(10)20-7-8-3-4-19-6-8/h1-2,5,8,16H,3-4,6-7H2,(H2,13,14).
What are the key properties of N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide?
N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide has a molecular weight of 281.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 76935447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).