3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol

C13H14F3NO2 — CID 71193891

IUPAC3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)11-8-19-12(17-11)2-1-7-18/h3-6,11,18H,1-2,7-8H2
InChIKeyQDMXBNDRAONLLR-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.95
Rot. Bonds4

About 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol

3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol (PubChem CID 71193891) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
PubChem CID71193891
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol
SMILESOCCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)11-8-19-12(17-11)2-1-7-18/h3-6,11,18H,1-2,7-8H2
InChIKeyQDMXBNDRAONLLR-UHFFFAOYSA-N
XLogP2.95
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-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-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol (CID 71193891) is 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol is OCCCC1=NC(c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
The InChIKey is QDMXBNDRAONLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-5-3-9(4-6-10)11-8-19-12(17-11)2-1-7-18/h3-6,11,18H,1-2,7-8H2.
What are the key properties of 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol?
3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol has a molecular weight of 273.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-yl]propan-1-ol is sourced from PubChem (CID 71193891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).