4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide

C11H12N6O4 — CID 106409218

IUPAC4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
SMILESCc1nc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C11H12N6O4/c1-6-14-10(16-21-6)5-13-11(18)7-2-3-8(15-12)9(4-7)17(19)20/h2-4,15H,5,12H2,1H3,(H,13,18)
InChIKeyHIZUYYXIHHIDCP-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.50
Rot. Bonds5

About 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide

4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide (PubChem CID 106409218) has the molecular formula C11H12N6O4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
PubChem CID106409218
Molecular FormulaC11H12N6O4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide
SMILESCc1nc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1
InChIInChI=1S/C11H12N6O4/c1-6-14-10(16-21-6)5-13-11(18)7-2-3-8(15-12)9(4-7)17(19)20/h2-4,15H,5,12H2,1H3,(H,13,18)
InChIKeyHIZUYYXIHHIDCP-UHFFFAOYSA-N
XLogP0.50
TPSA149.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.50
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'}

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Related Compounds

4-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-nitrobenzamide
CID 62237359
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409201
4-hydrazinyl-3-nitro-N-propylbenzamide
CID 62237139
4-hydrazinyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 82873656
3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-(propylamino)benzamide
CID 106408291
N-[3-(dimethylamino)propyl]-4-hydrazinyl-3-nitrobenzamide
CID 62249235
4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62242235
4-tert-butyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 4233230
4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409248
4-hydrazinyl-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-nitrobenzamide
CID 62640596
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
1-(4-hydrazinyl-3-nitrophenyl)ethanone
CID 54491853

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide?
The IUPAC name of 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide (CID 106409218) is 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide.
What is the SMILES notation for 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide?
The canonical SMILES for 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide is Cc1nc(CNC(=O)c2ccc(NN)c([N+](=O)[O-])c2)no1.
What is the InChIKey of 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide?
The InChIKey is HIZUYYXIHHIDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O4/c1-6-14-10(16-21-6)5-13-11(18)7-2-3-8(15-12)9(4-7)17(19)20/h2-4,15H,5,12H2,1H3,(H,13,18).
What are the key properties of 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide?
4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide has a molecular weight of 292.26 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-nitrobenzamide is sourced from PubChem (CID 106409218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).