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

C6H8BrNO2 — CID 79153129

IUPAC4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1ocnc1CBr
InChIInChI=1S/C6H8BrNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3
InChIKeyAAPZLMVPKBLOJC-UHFFFAOYSA-N
MW206.04 g/mol
LogP1.72
Rot. Bonds3

About 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole

4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole (PubChem CID 79153129) has the molecular formula C6H8BrNO2 and a molecular weight of 206.04 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole
PubChem CID79153129
Molecular FormulaC6H8BrNO2
Molecular Weight206.04 g/mol
Exact Mass204.97
IUPAC Name4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole
SMILESCOCc1ocnc1CBr
InChIInChI=1S/C6H8BrNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3
InChIKeyAAPZLMVPKBLOJC-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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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole?
The IUPAC name of 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole (CID 79153129) is 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole.
What is the SMILES notation for 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole?
The canonical SMILES for 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole is COCc1ocnc1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole?
The InChIKey is AAPZLMVPKBLOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNO2/c1-9-3-6-5(2-7)8-4-10-6/h4H,2-3H2,1H3.
What are the key properties of 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole?
4-(bromomethyl)-5-(methoxymethyl)-1,3-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 4-(bromomethyl)-5-(methoxymethyl)-1,3-oxazole is sourced from PubChem (CID 79153129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).