N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide

C9H13BrN2O3 — CID 80671429

IUPACN-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1ccon1
InChIInChI=1S/C9H13BrN2O3/c1-12(5-7(10)6-14-2)9(13)8-3-4-15-11-8/h3-4,7H,5-6H2,1-2H3
InChIKeyCWOKJCAEXWUICA-UHFFFAOYSA-N
MW277.12 g/mol
LogP1.16
Rot. Bonds5

About N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide

N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 80671429) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID80671429
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC NameN-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(Br)CN(C)C(=O)c1ccon1
InChIInChI=1S/C9H13BrN2O3/c1-12(5-7(10)6-14-2)9(13)8-3-4-15-11-8/h3-4,7H,5-6H2,1-2H3
InChIKeyCWOKJCAEXWUICA-UHFFFAOYSA-N
XLogP1.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 51.16
H-Bond Donors ≤ 50
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)-1,2-oxazole-3-carboxamide
CID 106245303
N-(2-bromo-3-methoxypropyl)-N,4-dimethylbenzamide
CID 80671004
N-(2-bromo-3-methoxypropyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 80671538
N-(2-bromo-3-methoxypropyl)-N-methylpyridazine-4-carboxamide
CID 104672547
N-(2-bromo-3-methoxypropyl)-N,2-dimethylbenzamide
CID 80670784
N-(2-bromo-3-methoxypropyl)-N,2,6-trimethylpyridine-3-carboxamide
CID 80671104
N-(2-bromo-3-methoxypropyl)-3,5-dichloro-N-methylbenzamide
CID 80671670
N-(2-bromo-3-methoxypropyl)-N,2,3-trimethylbenzamide
CID 80671445
2,4-dibromo-N-(2-bromo-3-methoxypropyl)-N-methylbenzamide
CID 114018651
N-(2-bromo-3-methoxypropyl)-3-(dimethylamino)-N-methylbenzamide
CID 80670757
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246
N-(2-bromo-3-methoxypropyl)-2-hydroxy-N,5-dimethylbenzamide
CID 80670555

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide (CID 80671429) is N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide is COCC(Br)CN(C)C(=O)c1ccon1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CWOKJCAEXWUICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-12(5-7(10)6-14-2)9(13)8-3-4-15-11-8/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 277.12 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 80671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).