2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole

C15H9F3N4OS — CID 1476773

IUPAC2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1nc(C(F)(F)F)c2cc(-c3nnc(-c4ccccc4)o3)sc21
InChIInChI=1S/C15H9F3N4OS/c1-22-14-9(11(21-22)15(16,17)18)7-10(24-14)13-20-19-12(23-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyOBERJAXTQMFJBZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.37
Rot. Bonds2

About 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole

2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 1476773) has the molecular formula C15H9F3N4OS and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID1476773
Molecular FormulaC15H9F3N4OS
Molecular Weight350.33 g/mol
Exact Mass350.04
IUPAC Name2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCn1nc(C(F)(F)F)c2cc(-c3nnc(-c4ccccc4)o3)sc21
InChIInChI=1S/C15H9F3N4OS/c1-22-14-9(11(21-22)15(16,17)18)7-10(24-14)13-20-19-12(23-13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyOBERJAXTQMFJBZ-UHFFFAOYSA-N
XLogP4.37
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole (CID 1476773) is 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole is Cn1nc(C(F)(F)F)c2cc(-c3nnc(-c4ccccc4)o3)sc21.
What is the InChIKey of 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is OBERJAXTQMFJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4OS/c1-22-14-9(11(21-22)15(16,17)18)7-10(24-14)13-20-19-12(23-13)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 350.33 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-(trifluoromethyl)thieno[3,2-d]pyrazol-5-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 1476773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).