(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C15H11F3N2O — CID 132938604

IUPAC(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-12(19-8-11)14-20-13(9-21-14)10-4-2-1-3-5-10/h1-8,13H,9H2/t13-/m0/s1
InChIKeyYZOJKEJLMYATFV-ZDUSSCGKSA-N
MW292.26 g/mol
LogP3.62
Rot. Bonds2

About (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole

(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 132938604) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID132938604
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESFC(F)(F)c1ccc(C2=N[C@H](c3ccccc3)CO2)nc1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-12(19-8-11)14-20-13(9-21-14)10-4-2-1-3-5-10/h1-8,13H,9H2/t13-/m0/s1
InChIKeyYZOJKEJLMYATFV-ZDUSSCGKSA-N
XLogP3.62
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 132938604) is (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is FC(F)(F)c1ccc(C2=N[C@H](c3ccccc3)CO2)nc1.
What is the InChIKey of (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is YZOJKEJLMYATFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)11-6-7-12(19-8-11)14-20-13(9-21-14)10-4-2-1-3-5-10/h1-8,13H,9H2/t13-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 292.26 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 132938604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).