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

C15H14F3NO — CID 134442707

IUPAC4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1ocnc1C1CCCC1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-8-4-3-7-11(12)14-13(19-9-20-14)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChIKeySHUVLOIXYSYDJA-UHFFFAOYSA-N
MW281.28 g/mol
LogP5.02
Rot. Bonds2

About 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole

4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole (PubChem CID 134442707) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
PubChem CID134442707
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole
SMILESFC(F)(F)c1ccccc1-c1ocnc1C1CCCC1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)12-8-4-3-7-11(12)14-13(19-9-20-14)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2
InChIKeySHUVLOIXYSYDJA-UHFFFAOYSA-N
XLogP5.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The IUPAC name of 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole (CID 134442707) is 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The canonical SMILES for 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole is FC(F)(F)c1ccccc1-c1ocnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
The InChIKey is SHUVLOIXYSYDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)12-8-4-3-7-11(12)14-13(19-9-20-14)10-5-1-2-6-10/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole?
4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole has a molecular weight of 281.28 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 134442707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).