4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole

C8H9ClF3NO2 — CID 141095168

IUPAC4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCCc1oc(C(F)(F)F)nc1COCCl
InChIInChI=1S/C8H9ClF3NO2/c1-2-6-5(3-14-4-9)13-7(15-6)8(10,11)12/h2-4H2,1H3
InChIKeyKAGFCFRXNFQWRS-UHFFFAOYSA-N
MW243.61 g/mol
LogP2.97
Rot. Bonds4

About 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole

4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole (PubChem CID 141095168) has the molecular formula C8H9ClF3NO2 and a molecular weight of 243.61 g/mol. Its IUPAC name is 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole
PubChem CID141095168
Molecular FormulaC8H9ClF3NO2
Molecular Weight243.61 g/mol
Exact Mass243.03
IUPAC Name4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole
SMILESCCc1oc(C(F)(F)F)nc1COCCl
InChIInChI=1S/C8H9ClF3NO2/c1-2-6-5(3-14-4-9)13-7(15-6)8(10,11)12/h2-4H2,1H3
InChIKeyKAGFCFRXNFQWRS-UHFFFAOYSA-N
XLogP2.97
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.61
LogP ≤ 52.97
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 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole (CID 141095168) is 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole is CCc1oc(C(F)(F)F)nc1COCCl.
What is the InChIKey of 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole?
The InChIKey is KAGFCFRXNFQWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO2/c1-2-6-5(3-14-4-9)13-7(15-6)8(10,11)12/h2-4H2,1H3.
What are the key properties of 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole?
4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole has a molecular weight of 243.61 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethoxymethyl)-5-ethyl-2-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 141095168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).