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

C10H11BrN4O2 — CID 4770837

IUPAC2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc(Br)c2C)no1
InChIInChI=1S/C10H11BrN4O2/c1-6-3-9(14-17-6)13-10(16)5-15-7(2)8(11)4-12-15/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeyIDUQHNLLQIAGKT-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.89
Rot. Bonds3

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

2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 4770837) has the molecular formula C10H11BrN4O2 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID4770837
Molecular FormulaC10H11BrN4O2
Molecular Weight299.13 g/mol
Exact Mass298.01
IUPAC Name2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ncc(Br)c2C)no1
InChIInChI=1S/C10H11BrN4O2/c1-6-3-9(14-17-6)13-10(16)5-15-7(2)8(11)4-12-15/h3-4H,5H2,1-2H3,(H,13,14,16)
InChIKeyIDUQHNLLQIAGKT-UHFFFAOYSA-N
XLogP1.89
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 4770837) is 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ncc(Br)c2C)no1.
What is the InChIKey of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is IDUQHNLLQIAGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2/c1-6-3-9(14-17-6)13-10(16)5-15-7(2)8(11)4-12-15/h3-4H,5H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 299.13 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylpyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 4770837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).