(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole

C16H12F3NO — CID 72712516

IUPAC(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)[C@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20-21-15)12-7-3-1-4-8-12/h1-10H,11H2/t15-/m1/s1
InChIKeyWAIHLTHOSOTEIS-OAHLLOKOSA-N
MW291.27 g/mol
LogP4.27
Rot. Bonds2

About (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole

(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 72712516) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID72712516
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)[C@]1(c2ccccc2)CC(c2ccccc2)=NO1
InChIInChI=1S/C16H12F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20-21-15)12-7-3-1-4-8-12/h1-10H,11H2/t15-/m1/s1
InChIKeyWAIHLTHOSOTEIS-OAHLLOKOSA-N
XLogP4.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561968
(5R)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561970
(5R)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561972
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
(5S)-5-benzyl-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561971
(5S)-5-benzyl-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562089
4,5-Dihydro-5-methyl-3,5-diphenylisoxazole
CID 368754
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
3-Benzyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 15470983
(5S)-5-benzyl-3-(2-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 71561969

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 72712516) is (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)[C@]1(c2ccccc2)CC(c2ccccc2)=NO1.
What is the InChIKey of (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is WAIHLTHOSOTEIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F3NO/c17-16(18,19)15(13-9-5-2-6-10-13)11-14(20-21-15)12-7-3-1-4-8-12/h1-10H,11H2/t15-/m1/s1.
What are the key properties of (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
(5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 291.27 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-diphenyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 72712516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).