N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide

C9H13BrN2O3 — CID 106245303

IUPACN-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccon1
InChIInChI=1S/C9H13BrN2O3/c1-14-6-7(10)2-4-11-9(13)8-3-5-15-12-8/h3,5,7H,2,4,6H2,1H3,(H,11,13)
InChIKeyLFYGPXSLNXPFKM-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.20
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide

N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide (PubChem CID 106245303) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
PubChem CID106245303
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC NameN-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ccon1
InChIInChI=1S/C9H13BrN2O3/c1-14-6-7(10)2-4-11-9(13)8-3-5-15-12-8/h3,5,7H,2,4,6H2,1H3,(H,11,13)
InChIKeyLFYGPXSLNXPFKM-UHFFFAOYSA-N
XLogP1.20
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 110693766
N-(5-bromo-4-methylpentyl)-1,2-oxazole-3-carboxamide
CID 106157906
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 80671429
N-(3-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
CID 106244866
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-[2-(methylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 62659468
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(3-bromo-4-methoxybutyl)-3-hydroxypyridine-4-carboxamide
CID 106244891
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide (CID 106245303) is N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide is COCC(Br)CCNC(=O)c1ccon1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is LFYGPXSLNXPFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-14-6-7(10)2-4-11-9(13)8-3-5-15-12-8/h3,5,7H,2,4,6H2,1H3,(H,11,13).
What are the key properties of N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide?
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 277.12 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106245303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).