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

C15H12F3NO2S — CID 155413237

IUPAC3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1csc(-c2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C15H12F3NO2S/c1-9-6-13(22-8-9)11-4-2-10(3-5-11)12-7-14(20,21-19-12)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyGTGUZXZCWPCCTL-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.10
Rot. Bonds2

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

3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413237) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413237
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCc1csc(-c2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1
InChIInChI=1S/C15H12F3NO2S/c1-9-6-13(22-8-9)11-4-2-10(3-5-11)12-7-14(20,21-19-12)15(16,17)18/h2-6,8,20H,7H2,1H3
InChIKeyGTGUZXZCWPCCTL-UHFFFAOYSA-N
XLogP4.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-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-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413237) is 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is Cc1csc(-c2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)c1.
What is the InChIKey of 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is GTGUZXZCWPCCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-9-6-13(22-8-9)11-4-2-10(3-5-11)12-7-14(20,21-19-12)15(16,17)18/h2-6,8,20H,7H2,1H3.
What are the key properties of 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 327.33 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylthiophen-2-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).