3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol

C16H16F3NO2 — CID 15324299

IUPAC3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol
SMILESC/C(=C\c1ccccc1)c1nc(CCCO)c(C(F)(F)F)o1
InChIInChI=1S/C16H16F3NO2/c1-11(10-12-6-3-2-4-7-12)15-20-13(8-5-9-21)14(22-15)16(17,18)19/h2-4,6-7,10,21H,5,8-9H2,1H3/b11-10+
InChIKeyXDJQFQPMTSXDRF-ZHACJKMWSA-N
MW311.30 g/mol
LogP4.18
Rot. Bonds5

About 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol

3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol (PubChem CID 15324299) has the molecular formula C16H16F3NO2 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol
PubChem CID15324299
Molecular FormulaC16H16F3NO2
Molecular Weight311.30 g/mol
Exact Mass311.11
IUPAC Name3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol
SMILESC/C(=C\c1ccccc1)c1nc(CCCO)c(C(F)(F)F)o1
InChIInChI=1S/C16H16F3NO2/c1-11(10-12-6-3-2-4-7-12)15-20-13(8-5-9-21)14(22-15)16(17,18)19/h2-4,6-7,10,21H,5,8-9H2,1H3/b11-10+
InChIKeyXDJQFQPMTSXDRF-ZHACJKMWSA-N
XLogP4.18
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol 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 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol?
The IUPAC name of 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol (CID 15324299) is 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol is C/C(=C\c1ccccc1)c1nc(CCCO)c(C(F)(F)F)o1.
What is the InChIKey of 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol?
The InChIKey is XDJQFQPMTSXDRF-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16F3NO2/c1-11(10-12-6-3-2-4-7-12)15-20-13(8-5-9-21)14(22-15)16(17,18)19/h2-4,6-7,10,21H,5,8-9H2,1H3/b11-10+.
What are the key properties of 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol?
3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol has a molecular weight of 311.30 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-1-phenylprop-1-en-2-yl]-5-(trifluoromethyl)-1,3-oxazol-4-yl]propan-1-ol is sourced from PubChem (CID 15324299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).