(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

C17H14F3NO — CID 166442988

IUPAC(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)12-16(14-9-5-2-6-10-14)11-15(21-22-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1
InChIKeyBTRHXOIMHWOLKB-INIZCTEOSA-N
MW305.30 g/mol
LogP4.66
Rot. Bonds3

About (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole

(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (PubChem CID 166442988) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
PubChem CID166442988
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C[C@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)12-16(14-9-5-2-6-10-14)11-15(21-22-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1
InChIKeyBTRHXOIMHWOLKB-INIZCTEOSA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The IUPAC name of (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole (CID 166442988) is (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The canonical SMILES for (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is FC(F)(F)C[C@]1(c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
The InChIKey is BTRHXOIMHWOLKB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)12-16(14-9-5-2-6-10-14)11-15(21-22-16)13-7-3-1-4-8-13/h1-10H,11-12H2/t16-/m0/s1.
What are the key properties of (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole?
(5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole has a molecular weight of 305.30 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole is sourced from PubChem (CID 166442988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).