N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C11H8BrFN2O2 — CID 24694837

IUPACN-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,1H3,(H,15,16)
InChIKeyIHLDQSXENAJJQO-UHFFFAOYSA-N
MW299.10 g/mol
LogP3.14
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24694837) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24694837
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C11H8BrFN2O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,1H3,(H,15,16)
InChIKeyIHLDQSXENAJJQO-UHFFFAOYSA-N
XLogP3.14
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 24694837) is N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IHLDQSXENAJJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-6-8(5-14-17-6)11(16)15-10-3-2-7(12)4-9(10)13/h2-5H,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 299.10 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24694837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).