4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole

C20H16F3NO — CID 15324296

IUPAC4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole
SMILESC/C(=C\c1ccccc1)c1nc(Cc2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO/c1-14(12-15-8-4-2-5-9-15)19-24-17(18(25-19)20(21,22)23)13-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b14-12+
InChIKeyHLBNHEFLKBYYBO-WYMLVPIESA-N
MW343.35 g/mol
LogP5.84
Rot. Bonds4

About 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole

4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole (PubChem CID 15324296) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole
PubChem CID15324296
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole
SMILESC/C(=C\c1ccccc1)c1nc(Cc2ccccc2)c(C(F)(F)F)o1
InChIInChI=1S/C20H16F3NO/c1-14(12-15-8-4-2-5-9-15)19-24-17(18(25-19)20(21,22)23)13-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b14-12+
InChIKeyHLBNHEFLKBYYBO-WYMLVPIESA-N
XLogP5.84
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole (CID 15324296) is 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole is C/C(=C\c1ccccc1)c1nc(Cc2ccccc2)c(C(F)(F)F)o1.
What is the InChIKey of 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole?
The InChIKey is HLBNHEFLKBYYBO-WYMLVPIESA-N. The full InChI is InChI=1S/C20H16F3NO/c1-14(12-15-8-4-2-5-9-15)19-24-17(18(25-19)20(21,22)23)13-16-10-6-3-7-11-16/h2-12H,13H2,1H3/b14-12+.
What are the key properties of 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole?
4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole has a molecular weight of 343.35 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 15324296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).