2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

C11H12N6O4 — CID 106409327

IUPAC2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H12N6O4/c12-16-9-2-1-7(17(19)20)5-8(9)11(18)13-4-3-10-14-6-15-21-10/h1-2,5-6,16H,3-4,12H2,(H,13,18)
InChIKeyDGXSCKGXBHZKTB-UHFFFAOYSA-N
MW292.25 g/mol
LogP0.24
Rot. Bonds6

About 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide

2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 106409327) has the molecular formula C11H12N6O4 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID106409327
Molecular FormulaC11H12N6O4
Molecular Weight292.25 g/mol
Exact Mass292.09
IUPAC Name2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESNNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncno1
InChIInChI=1S/C11H12N6O4/c12-16-9-2-1-7(17(19)20)5-8(9)11(18)13-4-3-10-14-6-15-21-10/h1-2,5-6,16H,3-4,12H2,(H,13,18)
InChIKeyDGXSCKGXBHZKTB-UHFFFAOYSA-N
XLogP0.24
TPSA149.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide 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

2-amino-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391609
2-hydrazinyl-N-(3-methoxypropyl)-5-nitrobenzamide
CID 62241467
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
2-hydrazinyl-5-nitro-N-(3-propoxypropyl)benzamide
CID 82941980
N-cyclopentyl-2-hydrazinyl-5-nitrobenzamide
CID 62238321
4-amino-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391499
2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]-5-nitrobenzamide
CID 63293487
5-bromo-2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103744021
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-nitrobenzamide
CID 104877746
5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzoxazol-2-amine
CID 106403985
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106403735
2-hydrazinyl-5-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55052407

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 106409327) is 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is NNc1ccc([N+](=O)[O-])cc1C(=O)NCCc1ncno1.
What is the InChIKey of 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is DGXSCKGXBHZKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c12-16-9-2-1-7(17(19)20)5-8(9)11(18)13-4-3-10-14-6-15-21-10/h1-2,5-6,16H,3-4,12H2,(H,13,18).
What are the key properties of 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide?
2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 292.25 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-5-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 106409327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).