3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole

C19H12F3N3O3S — CID 2745625

IUPAC3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)14-6-8-15(9-7-14)29(26,27)25-17(10-11-23-25)18-12-16(24-28-18)13-4-2-1-3-5-13/h1-12H
InChIKeyYSODBGVVHNZWJP-UHFFFAOYSA-N
MW419.38 g/mol
LogP4.46
Rot. Bonds4

About 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole

3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole (PubChem CID 2745625) has the molecular formula C19H12F3N3O3S and a molecular weight of 419.38 g/mol. Its IUPAC name is 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole
PubChem CID2745625
Molecular FormulaC19H12F3N3O3S
Molecular Weight419.38 g/mol
Exact Mass419.06
IUPAC Name3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1nccc1-c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H12F3N3O3S/c20-19(21,22)14-6-8-15(9-7-14)29(26,27)25-17(10-11-23-25)18-12-16(24-28-18)13-4-2-1-3-5-13/h1-12H
InChIKeyYSODBGVVHNZWJP-UHFFFAOYSA-N
XLogP4.46
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole (CID 2745625) is 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole is O=S(=O)(c1ccc(C(F)(F)F)cc1)n1nccc1-c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole?
The InChIKey is YSODBGVVHNZWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O3S/c20-19(21,22)14-6-8-15(9-7-14)29(26,27)25-17(10-11-23-25)18-12-16(24-28-18)13-4-2-1-3-5-13/h1-12H.
What are the key properties of 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole?
3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole has a molecular weight of 419.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[2-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 2745625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).