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

C6H8ClNO2 — CID 19958785

IUPAC3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CCl)no1
InChIInChI=1S/C6H8ClNO2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4H2,1H3
InChIKeyVGBSQHXCJVGRDX-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.56
Rot. Bonds3

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

3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole (PubChem CID 19958785) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole
PubChem CID19958785
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CCl)no1
InChIInChI=1S/C6H8ClNO2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4H2,1H3
InChIKeyVGBSQHXCJVGRDX-UHFFFAOYSA-N
XLogP1.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.56
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 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole (CID 19958785) is 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole is COCc1cc(CCl)no1.
What is the InChIKey of 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is VGBSQHXCJVGRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-9-4-6-2-5(3-7)8-10-6/h2H,3-4H2,1H3.
What are the key properties of 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole?
3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 161.59 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 19958785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).