2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

C13H14F3NO — CID 134938644

IUPAC2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)CC1CN=C(CCc2ccccc2)O1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-11-9-17-12(18-11)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyLLHZXZXSMRQXAT-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.37
Rot. Bonds4

About 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134938644) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
PubChem CID134938644
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)CC1CN=C(CCc2ccccc2)O1
InChIInChI=1S/C13H14F3NO/c14-13(15,16)8-11-9-17-12(18-11)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyLLHZXZXSMRQXAT-UHFFFAOYSA-N
XLogP3.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

AG-H-02521
CID 5325154
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4R)-4-phenyl-2-(4,4,4-trifluoro-3-methylbutyl)-4,5-dihydro-1,3-oxazole
CID 134858563
(4S,5R)-2-methyl-5-(2-phenylethynyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 134966853
4-Phenyl-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 154720158
(4S)-4-benzyl-2-ethyl-4,5-dihydro-1,3-oxazole
CID 12694682
2-Benzyl-5,5-dimethyloxazoline
CID 13546526
Vinylbenzyloxazoline
CID 69039732
2-[2-(4-Fluorophenyl)ethyl]-4,5-dihydro-1,3-oxazole
CID 101184937

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (CID 134938644) is 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is FC(F)(F)CC1CN=C(CCc2ccccc2)O1.
What is the InChIKey of 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LLHZXZXSMRQXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)8-11-9-17-12(18-11)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 257.25 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134938644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).