N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide

C10H15BrN2O3 — CID 106245346

IUPACN-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ocnc1C
InChIInChI=1S/C10H15BrN2O3/c1-7-9(16-6-13-7)10(14)12-4-3-8(11)5-15-2/h6,8H,3-5H2,1-2H3,(H,12,14)
InChIKeyFMCVBBOGXWHYCO-UHFFFAOYSA-N
MW291.14 g/mol
LogP1.51
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide

N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 106245346) has the molecular formula C10H15BrN2O3 and a molecular weight of 291.14 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID106245346
Molecular FormulaC10H15BrN2O3
Molecular Weight291.14 g/mol
Exact Mass290.03
IUPAC NameN-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide
SMILESCOCC(Br)CCNC(=O)c1ocnc1C
InChIInChI=1S/C10H15BrN2O3/c1-7-9(16-6-13-7)10(14)12-4-3-8(11)5-15-2/h6,8H,3-5H2,1-2H3,(H,12,14)
InChIKeyFMCVBBOGXWHYCO-UHFFFAOYSA-N
XLogP1.51
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 51.51
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-bromo-4-methoxybutyl)-3-methylfuran-2-carboxamide
CID 106244866
N-(3-bromo-4-methoxybutyl)pyrimidine-5-carboxamide
CID 106244827
N-(3-bromo-4-methoxybutyl)-2-methylpyridine-4-carboxamide
CID 106244762
N-(2-bromo-3-ethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 106288404
N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244803
N-(3-bromo-4-methoxybutyl)-2-hydroxy-3-methylbenzamide
CID 106245322
N-(3-bromo-4-methoxybutyl)-1,2-oxazole-3-carboxamide
CID 106245303
N-(3-bromo-4-methoxybutyl)-1H-pyrazole-4-carboxamide
CID 106244861
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-(3-bromo-4-methoxybutyl)pyridine-3-carboxamide
CID 106244946
N-(3-bromo-4-methoxybutyl)-5-chloropyridine-2-carboxamide
CID 106245143
N-(3-bromo-4-methoxybutyl)-3-methoxy-4-methylbenzamide
CID 106245135

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide (CID 106245346) is N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide is COCC(Br)CCNC(=O)c1ocnc1C.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is FMCVBBOGXWHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O3/c1-7-9(16-6-13-7)10(14)12-4-3-8(11)5-15-2/h6,8H,3-5H2,1-2H3,(H,12,14).
What are the key properties of N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide?
N-(3-bromo-4-methoxybutyl)-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 291.14 g/mol, XLogP of 1.51, 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)-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 106245346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).