4-(bromomethyl)-3,5-dimethyl-1,2-oxazole

C6H8BrNO — CID 12793289

IUPAC4-(bromomethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CBr
InChIInChI=1S/C6H8BrNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKeyOQWAOAIUESMDOS-UHFFFAOYSA-N
MW190.04 g/mol
LogP2.19
Rot. Bonds1

About 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole

4-(bromomethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 12793289) has the molecular formula C6H8BrNO and a molecular weight of 190.04 g/mol. Its IUPAC name is 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID12793289
Molecular FormulaC6H8BrNO
Molecular Weight190.04 g/mol
Exact Mass188.98
IUPAC Name4-(bromomethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CBr
InChIInChI=1S/C6H8BrNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3
InChIKeyOQWAOAIUESMDOS-UHFFFAOYSA-N
XLogP2.19
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
4-Bromo-3,5-dimethyl-1,2-oxazole
CID 318421
4-Iodo-3,5-dimethyl-1,2-oxazole
CID 613883
Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CID 88246
3,5-Dimethyl-4-Isoxazolecarbaldehyde
CID 289576
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
3,5-Dimethylisoxazole-4-boronic acid
CID 2734346
3,5-Dimethyl-4-(tributylstannyl)isoxazole
CID 15062215
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl thiocyanate
CID 134132278
5-(Bromomethyl)-3-methyl-1,2-oxazole
CID 10607354
2-(Dimethyl-1,2-oxazol-4-yl)ethan-1-amine
CID 2758570
4-Ethenyl-3,5-dimethyl-1,2-oxazole
CID 910190

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole (CID 12793289) is 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CBr.
What is the InChIKey of 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is OQWAOAIUESMDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO/c1-4-6(3-7)5(2)9-8-4/h3H2,1-2H3.
What are the key properties of 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole?
4-(bromomethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 190.04 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 12793289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).