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

C11H13N5O4 — CID 1259346

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H13N5O4/c1-6-4-9(14-20-6)12-10(17)5-15-8(3)11(16(18)19)7(2)13-15/h4H,5H2,1-3H3,(H,12,14,17)
InChIKeyHKAPGJLYQYFQPP-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.34
Rot. Bonds4

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 1259346) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID1259346
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H13N5O4/c1-6-4-9(14-20-6)12-10(17)5-15-8(3)11(16(18)19)7(2)13-15/h4H,5H2,1-3H3,(H,12,14,17)
InChIKeyHKAPGJLYQYFQPP-UHFFFAOYSA-N
XLogP1.34
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.34
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-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 1259346) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)no1.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HKAPGJLYQYFQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-6-4-9(14-20-6)12-10(17)5-15-8(3)11(16(18)19)7(2)13-15/h4H,5H2,1-3H3,(H,12,14,17).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 279.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1259346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).