5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole

C18H17F3N2O2 — CID 141282002

IUPAC5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole
SMILESC[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=C(c2ccccc2)O1
InChIInChI=1S/C18H17F3N2O2/c1-13(16-8-7-15(11-22-16)24-12-18(19,20)21)23-10-9-17(25-23)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3/t13-/m1/s1
InChIKeyBSMGRZAIJMGBTR-CYBMUJFWSA-N
MW350.34 g/mol
LogP4.37
Rot. Bonds5

About 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole

5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole (PubChem CID 141282002) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole
PubChem CID141282002
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole
SMILESC[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=C(c2ccccc2)O1
InChIInChI=1S/C18H17F3N2O2/c1-13(16-8-7-15(11-22-16)24-12-18(19,20)21)23-10-9-17(25-23)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3/t13-/m1/s1
InChIKeyBSMGRZAIJMGBTR-CYBMUJFWSA-N
XLogP4.37
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole?
The IUPAC name of 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole (CID 141282002) is 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole.
What is the SMILES notation for 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole?
The canonical SMILES for 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole is C[C@H](c1ccc(OCC(F)(F)F)cn1)N1CC=C(c2ccccc2)O1.
What is the InChIKey of 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole?
The InChIKey is BSMGRZAIJMGBTR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-13(16-8-7-15(11-22-16)24-12-18(19,20)21)23-10-9-17(25-23)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3/t13-/m1/s1.
What are the key properties of 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole?
5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole has a molecular weight of 350.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-3H-1,2-oxazole is sourced from PubChem (CID 141282002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).