5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

C11H7ClF3NO — CID 14674320

IUPAC5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccccc1-c1cc(CCl)on1
InChIInChI=1S/C11H7ClF3NO/c12-6-7-5-10(16-17-7)8-3-1-2-4-9(8)11(13,14)15/h1-5H,6H2
InChIKeySYJVEIMJPRMBKC-UHFFFAOYSA-N
MW261.63 g/mol
LogP4.10
Rot. Bonds2

About 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole

5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 14674320) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID14674320
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFC(F)(F)c1ccccc1-c1cc(CCl)on1
InChIInChI=1S/C11H7ClF3NO/c12-6-7-5-10(16-17-7)8-3-1-2-4-9(8)11(13,14)15/h1-5H,6H2
InChIKeySYJVEIMJPRMBKC-UHFFFAOYSA-N
XLogP4.10
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 54.10
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

3-[4-butyl-2-(trifluoromethyl)phenyl]-5-(chloromethyl)-1,2-oxazole
CID 57498317
3-(3-bromo-2-fluorophenyl)-5-(chloromethyl)-1,2-oxazole
CID 131185600
1-[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propan-1-amine
CID 106223997
[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
CID 69398584
5-(chloromethyl)-3-(3-chloro-2-methylphenyl)-1,2-oxazole
CID 166596910
6-(trifluoromethyl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]pyridine-3-carboxamide
CID 138465076
3-(3-bromo-2-methylphenyl)-5-(chloromethyl)-1,2-oxazole
CID 166596874
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
CID 142679489
4,6-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 118817860
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole (CID 14674320) is 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is FC(F)(F)c1ccccc1-c1cc(CCl)on1.
What is the InChIKey of 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is SYJVEIMJPRMBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c12-6-7-5-10(16-17-7)8-3-1-2-4-9(8)11(13,14)15/h1-5H,6H2.
What are the key properties of 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole?
5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 261.63 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-3-[2-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 14674320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).