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

C10H11N5O4 — CID 4771442

IUPAC2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)no1
InChIInChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)11-10(16)5-14-4-8(15(17)18)7(2)12-14/h3-4H,5H2,1-2H3,(H,11,13,16)
InChIKeyOWBZPHADJPIFNI-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.03
Rot. Bonds4

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

2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4771442) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4771442
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)no1
InChIInChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)11-10(16)5-14-4-8(15(17)18)7(2)12-14/h3-4H,5H2,1-2H3,(H,11,13,16)
InChIKeyOWBZPHADJPIFNI-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4771442) is 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)no1.
What is the InChIKey of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OWBZPHADJPIFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-6-3-9(13-19-6)11-10(16)5-14-4-8(15(17)18)7(2)12-14/h3-4H,5H2,1-2H3,(H,11,13,16).
What are the key properties of 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-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 2-(3-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4771442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).