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

C6H8ClNO — CID 14267298

IUPAC3-(chloromethyl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(CCl)no1
InChIInChI=1S/C6H8ClNO/c1-2-6-3-5(4-7)8-9-6/h3H,2,4H2,1H3
InChIKeyVASRUENZDOTUKJ-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.98
Rot. Bonds2

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

3-(chloromethyl)-5-ethyl-1,2-oxazole (PubChem CID 14267298) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 3-(chloromethyl)-5-ethyl-1,2-oxazole.

Molecular Properties

Compound Name3-(chloromethyl)-5-ethyl-1,2-oxazole
PubChem CID14267298
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name3-(chloromethyl)-5-ethyl-1,2-oxazole
SMILESCCc1cc(CCl)no1
InChIInChI=1S/C6H8ClNO/c1-2-6-3-5(4-7)8-9-6/h3H,2,4H2,1H3
InChIKeyVASRUENZDOTUKJ-UHFFFAOYSA-N
XLogP1.98
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-1,2-oxazole?
The IUPAC name of 3-(chloromethyl)-5-ethyl-1,2-oxazole (CID 14267298) is 3-(chloromethyl)-5-ethyl-1,2-oxazole.
What is the SMILES notation for 3-(chloromethyl)-5-ethyl-1,2-oxazole?
The canonical SMILES for 3-(chloromethyl)-5-ethyl-1,2-oxazole is CCc1cc(CCl)no1.
What is the InChIKey of 3-(chloromethyl)-5-ethyl-1,2-oxazole?
The InChIKey is VASRUENZDOTUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-2-6-3-5(4-7)8-9-6/h3H,2,4H2,1H3.
What are the key properties of 3-(chloromethyl)-5-ethyl-1,2-oxazole?
3-(chloromethyl)-5-ethyl-1,2-oxazole has a molecular weight of 145.59 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-ethyl-1,2-oxazole is sourced from PubChem (CID 14267298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).