3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide

C10H9N5O4 — CID 113333612

IUPAC3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
SMILESNNc1cccc(C(=O)Nc2cnoc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O4/c11-14-8-3-1-2-7(9(8)15(17)18)10(16)13-6-4-12-19-5-6/h1-5,14H,11H2,(H,13,16)
InChIKeyUZKDVDOBHJJZNC-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.12
Rot. Bonds4

About 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide

3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide (PubChem CID 113333612) has the molecular formula C10H9N5O4 and a molecular weight of 263.21 g/mol. Its IUPAC name is 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide.

Molecular Properties

Compound Name3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
PubChem CID113333612
Molecular FormulaC10H9N5O4
Molecular Weight263.21 g/mol
Exact Mass263.07
IUPAC Name3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide
SMILESNNc1cccc(C(=O)Nc2cnoc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H9N5O4/c11-14-8-3-1-2-7(9(8)15(17)18)10(16)13-6-4-12-19-5-6/h1-5,14H,11H2,(H,13,16)
InChIKeyUZKDVDOBHJJZNC-UHFFFAOYSA-N
XLogP1.12
TPSA136.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

3-hydrazinyl-2-nitro-N-pyrimidin-5-ylbenzamide
CID 107590020
N-(4-chlorophenyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549451
3-hydrazinyl-2-nitro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 113333579
2-(methylamino)-N-(1,2-oxazol-4-yl)benzamide
CID 62913787
3-hydrazinyl-N-(2-methyl-1,2,4-triazol-3-yl)-2-nitrobenzamide
CID 115549707
3-amino-2-methyl-N-(1,2-oxazol-4-yl)benzamide
CID 62902054
N-(dicyclopropylmethyl)-3-hydrazinyl-2-nitrobenzamide
CID 115549532
2-fluoro-5-nitro-N-(1,2-oxazol-4-yl)benzamide
CID 62415056
3-hydrazinyl-2-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 113333584
3-hydrazinyl-2-nitro-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 115549682
N-benzyl-3-hydrazinyl-2-nitrobenzamide
CID 115549377
6-hydrazinyl-N-(1,2-oxazol-4-yl)pyridine-2-carboxamide
CID 62913247

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide?
The IUPAC name of 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide (CID 113333612) is 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide.
What is the SMILES notation for 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide?
The canonical SMILES for 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide is NNc1cccc(C(=O)Nc2cnoc2)c1[N+](=O)[O-].
What is the InChIKey of 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide?
The InChIKey is UZKDVDOBHJJZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4/c11-14-8-3-1-2-7(9(8)15(17)18)10(16)13-6-4-12-19-5-6/h1-5,14H,11H2,(H,13,16).
What are the key properties of 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide?
3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide has a molecular weight of 263.21 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-2-nitro-N-(1,2-oxazol-4-yl)benzamide is sourced from PubChem (CID 113333612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).