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

C5H6BrNO2 — CID 10845405

IUPAC5-(bromomethyl)-3-methoxy-1,2-oxazole
SMILESCOc1cc(CBr)on1
InChIInChI=1S/C5H6BrNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChIKeyIKWBIWKIWRWLFN-UHFFFAOYSA-N
MW192.01 g/mol
LogP1.58
Rot. Bonds2

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

5-(bromomethyl)-3-methoxy-1,2-oxazole (PubChem CID 10845405) has the molecular formula C5H6BrNO2 and a molecular weight of 192.01 g/mol. Its IUPAC name is 5-(bromomethyl)-3-methoxy-1,2-oxazole.

Molecular Properties

Compound Name5-(bromomethyl)-3-methoxy-1,2-oxazole
PubChem CID10845405
Molecular FormulaC5H6BrNO2
Molecular Weight192.01 g/mol
Exact Mass190.96
IUPAC Name5-(bromomethyl)-3-methoxy-1,2-oxazole
SMILESCOc1cc(CBr)on1
InChIInChI=1S/C5H6BrNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChIKeyIKWBIWKIWRWLFN-UHFFFAOYSA-N
XLogP1.58
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.01
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-3-methoxy-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Chloromethyl)-3-methoxy-1,2-oxazole
CID 10080543
5-Methyl-3-(prop-2-yn-1-yloxy)isoxazole
CID 85975236
3-Methoxy-5-methylisoxazole
CID 11768539
3-But-2-ynoxy-5-methyl-1,2-oxazole
CID 90940069
5-Methyl-3-(2,2,2-trifluoroethoxy)-1,2-oxazole
CID 90278805
5-Methyl-3-(trifluoromethoxy)-1,2-oxazole
CID 118466345
5-(Bromomethyl)-3-(3,3,3-trifluoropropoxy)-1,2-oxazole
CID 140243966
5-(Bromomethyl)-3-(2-fluoroethoxy)-1,2-oxazole
CID 140243969
5-(Bromomethyl)-3-(3-fluoropropoxy)-1,2-oxazole
CID 140243982
5-(Bromomethyl)-3-(2-fluoropropoxy)-1,2-oxazole
CID 140243999
5-(Bromomethyl)-3-(2,2-difluoroethoxy)-1,2-oxazole
CID 140244008
5-(bromomethyl)-3-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-1,2-oxazole
CID 140244013

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-methoxy-1,2-oxazole?
The IUPAC name of 5-(bromomethyl)-3-methoxy-1,2-oxazole (CID 10845405) is 5-(bromomethyl)-3-methoxy-1,2-oxazole.
What is the SMILES notation for 5-(bromomethyl)-3-methoxy-1,2-oxazole?
The canonical SMILES for 5-(bromomethyl)-3-methoxy-1,2-oxazole is COc1cc(CBr)on1.
What is the InChIKey of 5-(bromomethyl)-3-methoxy-1,2-oxazole?
The InChIKey is IKWBIWKIWRWLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3.
What are the key properties of 5-(bromomethyl)-3-methoxy-1,2-oxazole?
5-(bromomethyl)-3-methoxy-1,2-oxazole has a molecular weight of 192.01 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-methoxy-1,2-oxazole is sourced from PubChem (CID 10845405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).