3-(2-chloroethoxymethyl)-1,2-oxazole

C6H8ClNO2 — CID 20557662

IUPAC3-(2-chloroethoxymethyl)-1,2-oxazole
SMILESClCCOCc1ccon1
InChIInChI=1S/C6H8ClNO2/c7-2-4-9-5-6-1-3-10-8-6/h1,3H,2,4-5H2
InChIKeyAKCNDRCQOYBBGA-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.43
Rot. Bonds4

About 3-(2-chloroethoxymethyl)-1,2-oxazole

3-(2-chloroethoxymethyl)-1,2-oxazole (PubChem CID 20557662) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is 3-(2-chloroethoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chloroethoxymethyl)-1,2-oxazole
PubChem CID20557662
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC Name3-(2-chloroethoxymethyl)-1,2-oxazole
SMILESClCCOCc1ccon1
InChIInChI=1S/C6H8ClNO2/c7-2-4-9-5-6-1-3-10-8-6/h1,3H,2,4-5H2
InChIKeyAKCNDRCQOYBBGA-UHFFFAOYSA-N
XLogP1.43
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethoxymethyl)-1,2-oxazole?
The IUPAC name of 3-(2-chloroethoxymethyl)-1,2-oxazole (CID 20557662) is 3-(2-chloroethoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-(2-chloroethoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-(2-chloroethoxymethyl)-1,2-oxazole is ClCCOCc1ccon1.
What is the InChIKey of 3-(2-chloroethoxymethyl)-1,2-oxazole?
The InChIKey is AKCNDRCQOYBBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c7-2-4-9-5-6-1-3-10-8-6/h1,3H,2,4-5H2.
What are the key properties of 3-(2-chloroethoxymethyl)-1,2-oxazole?
3-(2-chloroethoxymethyl)-1,2-oxazole has a molecular weight of 161.59 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethoxymethyl)-1,2-oxazole is sourced from PubChem (CID 20557662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).