N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C8H11BrN2O2 — CID 80659052

IUPACN-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)CCBr
InChIInChI=1S/C8H11BrN2O2/c1-6-7(5-10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyILMOGNPLSGVKPI-UHFFFAOYSA-N
MW247.09 g/mol
LogP1.45
Rot. Bonds3

About N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 80659052) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID80659052
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC NameN-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)N(C)CCBr
InChIInChI=1S/C8H11BrN2O2/c1-6-7(5-10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3
InChIKeyILMOGNPLSGVKPI-UHFFFAOYSA-N
XLogP1.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 104555676
N-(2-chloroethyl)-N-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 63395363
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 43383719
N-(2-bromoethyl)-2-chloro-N-methylfuran-3-carboxamide
CID 106689914
N-(2-bromoethyl)-3-ethyl-N,6-dimethylpyridazine-4-carboxamide
CID 104672507
5-methyl-1,2-oxazole-4-carboxamide
CID 18366019
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
4-[methyl-(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 104697982
2-bromo-N-(2-bromoethyl)-N,5-dimethylbenzamide
CID 81117833
N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114307930
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 80659052) is N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)N(C)CCBr.
What is the InChIKey of N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is ILMOGNPLSGVKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-6-7(5-10-13-6)8(12)11(2)4-3-9/h5H,3-4H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 247.09 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 80659052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).