2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

C15H11F3N2O2S — CID 66881321

IUPAC2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O2S/c1-2-23(21)13-8-19-6-5-10(13)14-20-11-7-9(15(16,17)18)3-4-12(11)22-14/h3-8H,2H2,1H3
InChIKeyGYDQAJQBORAVDZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.04
Rot. Bonds3

About 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole

2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 66881321) has the molecular formula C15H11F3N2O2S and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
PubChem CID66881321
Molecular FormulaC15H11F3N2O2S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC Name2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
SMILESCCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C15H11F3N2O2S/c1-2-23(21)13-8-19-6-5-10(13)14-20-11-7-9(15(16,17)18)3-4-12(11)22-14/h3-8H,2H2,1H3
InChIKeyGYDQAJQBORAVDZ-UHFFFAOYSA-N
XLogP4.04
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(Pyridin-4-yl)-1,3-benzoxazole
CID 16804
Oxazosulfyl
CID 90258515
N-[2-(4-pyridinyl)-1,3-benzoxazol-5-yl]-2-thiophenecarboxamide
CID 714050
2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155553595
US10865384, Example 5a
CID 21704192
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-pyridinecarboxamide
CID 6458011
5-methyl-2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155530957
6-fluoro-2-[(1E,3E)-4-pyridin-4-ylbuta-1,3-dienyl]-1,3-benzoxazole
CID 155552721
2-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1,3-benzoxazole
CID 13537507
5-Ethylsulfonyl-2-isoquinolin-3-yl-1,3-benzoxazole
CID 25212336
2-Isopentyl-5-(pyridin-4-yl)benzo[d]oxazole
CID 118864102
2-(1,3-Dimethylbutyl)-5-(4-pyridinyl)benzoxazole
CID 118864139

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole (CID 66881321) is 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is CCS(=O)c1cnccc1-c1nc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is GYDQAJQBORAVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2S/c1-2-23(21)13-8-19-6-5-10(13)14-20-11-7-9(15(16,17)18)3-4-12(11)22-14/h3-8H,2H2,1H3.
What are the key properties of 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole?
2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 340.33 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 66881321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).