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

C17H14F3NO — CID 132602176

IUPAC2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
SMILESFC(F)(F)CC1(c2ccccc2)CN=C(c2ccccc2)O1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-16(14-9-5-2-6-10-14)12-21-15(22-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyQQJNYAKHNVPLNE-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.31
Rot. Bonds3

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

2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole (PubChem CID 132602176) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole.

Molecular Properties

Compound Name2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
PubChem CID132602176
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole
SMILESFC(F)(F)CC1(c2ccccc2)CN=C(c2ccccc2)O1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-16(14-9-5-2-6-10-14)12-21-15(22-16)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyQQJNYAKHNVPLNE-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole?
The IUPAC name of 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole (CID 132602176) is 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole.
What is the SMILES notation for 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole?
The canonical SMILES for 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole is FC(F)(F)CC1(c2ccccc2)CN=C(c2ccccc2)O1.
What is the InChIKey of 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole?
The InChIKey is QQJNYAKHNVPLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)11-16(14-9-5-2-6-10-14)12-21-15(22-16)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole?
2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole has a molecular weight of 305.30 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,3-oxazole is sourced from PubChem (CID 132602176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).