N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide

C10H11N5O4 — CID 19521755

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1noc(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O4/c1-6-10(7(2)19-13-6)11-9(16)5-14-4-3-8(12-14)15(17)18/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyDDKFYFYTKUHROJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.03
Rot. Bonds4

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide (PubChem CID 19521755) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
PubChem CID19521755
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide
SMILESCc1noc(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O4/c1-6-10(7(2)19-13-6)11-9(16)5-14-4-3-8(12-14)15(17)18/h3-4H,5H2,1-2H3,(H,11,16)
InChIKeyDDKFYFYTKUHROJ-UHFFFAOYSA-N
XLogP1.03
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19521189
N-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19559526
N-(4-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 557433
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 19404246
N-(2-iodophenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 47239868
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
N'-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]-2-(3-nitropyrazol-1-yl)acetohydrazide
CID 35208736
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(5-methylpyrazol-1-yl)acetamide
CID 19522980
N-[3-(hydroxymethyl)pentan-3-yl]-2-(3-nitropyrazol-1-yl)acetamide
CID 55082351
6-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63643071

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide (CID 19521755) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide is Cc1noc(C)c1NC(=O)Cn1ccc([N+](=O)[O-])n1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide?
The InChIKey is DDKFYFYTKUHROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-10(7(2)19-13-6)11-9(16)5-14-4-3-8(12-14)15(17)18/h3-4H,5H2,1-2H3,(H,11,16).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide has a molecular weight of 265.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19521755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).