5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole

C6H8BrNO2 — CID 19958847

IUPAC5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CBr)on1
InChIInChI=1S/C6H8BrNO2/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4H2,1H3
InChIKeyGZIKQCLIINSUEV-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.72
Rot. Bonds3

About 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole

5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole (PubChem CID 19958847) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole
PubChem CID19958847
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CBr)on1
InChIInChI=1S/C6H8BrNO2/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4H2,1H3
InChIKeyGZIKQCLIINSUEV-UHFFFAOYSA-N
XLogP1.72
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 51.72
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

[5-(bromomethyl)-1,2-oxazol-3-yl]methyl formate
CID 174932802
O-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]hydroxylamine
CID 79427575
5-chloro-3-(methoxymethyl)-1,2-oxazole
CID 130537915
5-(bromomethyl)-3-(2,2,2-trifluoroethyl)-1,2-oxazole
CID 178201139
3-[(2-bromophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 66158008
3-(azetidin-3-yloxymethyl)-5-(methoxymethyl)-1,2-oxazole
CID 66191333
[3-(bromomethyl)-1,2-oxazol-5-yl]methoxy-tert-butyl-dimethylsilane
CID 67336191
1-[3-(methoxymethyl)-1,2-oxazol-5-yl]ethanone
CID 14814687
3-[(5-bromo-2-fluorophenoxy)methyl]-5-(methoxymethyl)-1,2-oxazole
CID 114672579
[5-bromo-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methanamine
CID 66157009
[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]cyclohexyl]methanamine
CID 66188763
2-[3-bromo-4-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 66190553

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole (CID 19958847) is 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole is COCc1cc(CBr)on1.
What is the InChIKey of 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole?
The InChIKey is GZIKQCLIINSUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-9-4-5-2-6(3-7)10-8-5/h2H,3-4H2,1H3.
What are the key properties of 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole?
5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole has a molecular weight of 206.04 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 19958847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).