4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

C17H12F3NO — CID 14981347

IUPAC4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-14(11-12-7-3-1-4-8-12)21-16(22-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLLSIMQSZSVAHHM-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.95
Rot. Bonds3

About 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole

4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 14981347) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
PubChem CID14981347
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole
SMILESFC(F)(F)c1oc(-c2ccccc2)nc1Cc1ccccc1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)15-14(11-12-7-3-1-4-8-12)21-16(22-15)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyLLSIMQSZSVAHHM-UHFFFAOYSA-N
XLogP4.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole (CID 14981347) is 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is FC(F)(F)c1oc(-c2ccccc2)nc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is LLSIMQSZSVAHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c18-17(19,20)15-14(11-12-7-3-1-4-8-12)21-16(22-15)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole?
4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 303.28 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 14981347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).