2-chloro-4-(ethylperoxymethyl)-1,3-oxazole

C6H8ClNO3 — CID 88583887

IUPAC2-chloro-4-(ethylperoxymethyl)-1,3-oxazole
SMILESCCOOCc1coc(Cl)n1
InChIInChI=1S/C6H8ClNO3/c1-2-10-11-4-5-3-9-6(7)8-5/h3H,2,4H2,1H3
InChIKeyZNXSQRMUTPUWSP-UHFFFAOYSA-N
MW177.59 g/mol
LogP1.80
Rot. Bonds4

About 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole

2-chloro-4-(ethylperoxymethyl)-1,3-oxazole (PubChem CID 88583887) has the molecular formula C6H8ClNO3 and a molecular weight of 177.59 g/mol. Its IUPAC name is 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-4-(ethylperoxymethyl)-1,3-oxazole
PubChem CID88583887
Molecular FormulaC6H8ClNO3
Molecular Weight177.59 g/mol
Exact Mass177.02
IUPAC Name2-chloro-4-(ethylperoxymethyl)-1,3-oxazole
SMILESCCOOCc1coc(Cl)n1
InChIInChI=1S/C6H8ClNO3/c1-2-10-11-4-5-3-9-6(7)8-5/h3H,2,4H2,1H3
InChIKeyZNXSQRMUTPUWSP-UHFFFAOYSA-N
XLogP1.80
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.59
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole?
The IUPAC name of 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole (CID 88583887) is 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole.
What is the SMILES notation for 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole?
The canonical SMILES for 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole is CCOOCc1coc(Cl)n1.
What is the InChIKey of 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole?
The InChIKey is ZNXSQRMUTPUWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO3/c1-2-10-11-4-5-3-9-6(7)8-5/h3H,2,4H2,1H3.
What are the key properties of 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole?
2-chloro-4-(ethylperoxymethyl)-1,3-oxazole has a molecular weight of 177.59 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(ethylperoxymethyl)-1,3-oxazole is sourced from PubChem (CID 88583887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).