5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

C9H9BrN4O2 — CID 164719206

IUPAC5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(Cc2cc(C(N)=O)no2)c(Br)n1
InChIInChI=1S/C9H9BrN4O2/c1-14-4-5(8(10)12-14)2-6-3-7(9(11)15)13-16-6/h3-4H,2H2,1H3,(H2,11,15)
InChIKeyRAHNGCOWUXTZQT-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.86
Rot. Bonds3

About 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 164719206) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID164719206
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCn1cc(Cc2cc(C(N)=O)no2)c(Br)n1
InChIInChI=1S/C9H9BrN4O2/c1-14-4-5(8(10)12-14)2-6-3-7(9(11)15)13-16-6/h3-4H,2H2,1H3,(H2,11,15)
InChIKeyRAHNGCOWUXTZQT-UHFFFAOYSA-N
XLogP0.86
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide (CID 164719206) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is Cn1cc(Cc2cc(C(N)=O)no2)c(Br)n1.
What is the InChIKey of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RAHNGCOWUXTZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c1-14-4-5(8(10)12-14)2-6-3-7(9(11)15)13-16-6/h3-4H,2H2,1H3,(H2,11,15).
What are the key properties of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide?
5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 285.10 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164719206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).