4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole

C5H3ClF3NO — CID 126971910

IUPAC4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ocnc1CCl
InChIInChI=1S/C5H3ClF3NO/c6-1-3-4(5(7,8)9)11-2-10-3/h2H,1H2
InChIKeyQEIPIOQJUXXGAX-UHFFFAOYSA-N
MW185.53 g/mol
LogP2.43
Rot. Bonds1

About 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole

4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 126971910) has the molecular formula C5H3ClF3NO and a molecular weight of 185.53 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
PubChem CID126971910
Molecular FormulaC5H3ClF3NO
Molecular Weight185.53 g/mol
Exact Mass184.99
IUPAC Name4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1ocnc1CCl
InChIInChI=1S/C5H3ClF3NO/c6-1-3-4(5(7,8)9)11-2-10-3/h2H,1H2
InChIKeyQEIPIOQJUXXGAX-UHFFFAOYSA-N
XLogP2.43
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.53
LogP ≤ 52.43
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

4,5-Dimethyloxazole
CID 30214
Oxazole, 4-(chloromethyl)-5-methyl-
CID 18982975
4-(Chloromethyl)-5-(difluoromethyl)-1,3-oxazole
CID 137699011
5-(Chloromethyl)-4-methyl-1,3-oxazole
CID 205485
5-(Chloromethyl)-4-methyl-1,3-oxazole hydrochloride
CID 57374638
5-(Difluoromethyl)-4-ethynyl-1,3-oxazole
CID 146050177
Oxazole, 5-(2-chloroethyl)-4-(trifluoromethyl)-
CID 20557837
4-Methyl-5-(trifluoromethyl)-1,3-oxazole
CID 54234857
4-(Bromomethyl)-5-(trifluoromethyl)-1,3-oxazole
CID 130118600
5-(Difluoromethyl)-4-methyl-1,3-oxazole
CID 138661277
4-(Difluoromethyl)-5-methyl-1,3-oxazole
CID 138661281
4-(Chloromethyl)-5-methyl-2-(trifluoromethyl)-1,3-oxazole
CID 141124925

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole (CID 126971910) is 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1ocnc1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is QEIPIOQJUXXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF3NO/c6-1-3-4(5(7,8)9)11-2-10-3/h2H,1H2.
What are the key properties of 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole?
4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 185.53 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 126971910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).