3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C14H10F3NO2S — CID 155413871

IUPAC3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cccs3)cc2)=NO1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)13(19)8-11(18-20-13)9-3-5-10(6-4-9)12-2-1-7-21-12/h1-7,19H,8H2
InChIKeyDCVVFWAEVSGANW-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.79
Rot. Bonds2

About 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 155413871) has the molecular formula C14H10F3NO2S and a molecular weight of 313.30 g/mol. Its IUPAC name is 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID155413871
Molecular FormulaC14H10F3NO2S
Molecular Weight313.30 g/mol
Exact Mass313.04
IUPAC Name3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2ccc(-c3cccs3)cc2)=NO1
InChIInChI=1S/C14H10F3NO2S/c15-14(16,17)13(19)8-11(18-20-13)9-3-5-10(6-4-9)12-2-1-7-21-12/h1-7,19H,8H2
InChIKeyDCVVFWAEVSGANW-UHFFFAOYSA-N
XLogP3.79
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 155413871) is 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2ccc(-c3cccs3)cc2)=NO1.
What is the InChIKey of 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is DCVVFWAEVSGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2S/c15-14(16,17)13(19)8-11(18-20-13)9-3-5-10(6-4-9)12-2-1-7-21-12/h1-7,19H,8H2.
What are the key properties of 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 313.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-thiophen-2-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 155413871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).