5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole

C6H5ClF3NO — CID 20557837

IUPAC5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncoc1CCCl
InChIInChI=1S/C6H5ClF3NO/c7-2-1-4-5(6(8,9)10)11-3-12-4/h3H,1-2H2
InChIKeyUMOFRAKNROEBSJ-UHFFFAOYSA-N
MW199.56 g/mol
LogP2.47
Rot. Bonds2

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

5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 20557837) has the molecular formula C6H5ClF3NO and a molecular weight of 199.56 g/mol. Its IUPAC name is 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID20557837
Molecular FormulaC6H5ClF3NO
Molecular Weight199.56 g/mol
Exact Mass199.00
IUPAC Name5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ncoc1CCCl
InChIInChI=1S/C6H5ClF3NO/c7-2-1-4-5(6(8,9)10)11-3-12-4/h3H,1-2H2
InChIKeyUMOFRAKNROEBSJ-UHFFFAOYSA-N
XLogP2.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Ethyl-4-methyloxazole
CID 207286
Oxazole, 5-(2-chloroethyl)-4-methyl-
CID 120387
4-(Chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 126971910
4-(Chloromethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137699011
4-(Chloromethyl)-5-(propan-2-yl)-1,3-oxazole
CID 71683235
5-Propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
CID 139342279
5-Tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 146379139
5-Tert-butyl-4-(difluoromethyl)-1,3-oxazole
CID 153449492
4-(Difluoromethyl)-5-propan-2-yl-1,3-oxazole
CID 154623357
4-(Difluoromethyl)-5-ethyl-1,3-oxazole
CID 167066192
4-(Fluoromethyl)-5-propan-2-yl-1,3-oxazole
CID 169163575
4-(2,2-Difluoroethyl)-5-methyl-1,3-oxazole
CID 170144691

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole (CID 20557837) is 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ncoc1CCCl.
What is the InChIKey of 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is UMOFRAKNROEBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF3NO/c7-2-1-4-5(6(8,9)10)11-3-12-4/h3H,1-2H2.
What are the key properties of 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole?
5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 199.56 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 20557837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).