2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole

C19H10F3N5O2 — CID 4773915

IUPAC2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c(-c3nnc(-c4ccccc4)o3)cnn12
InChIInChI=1S/C19H10F3N5O2/c20-19(21,22)15-9-13(14-7-4-8-28-14)24-16-12(10-23-27(15)16)18-26-25-17(29-18)11-5-2-1-3-6-11/h1-10H
InChIKeyXPBUKHIITKPGCD-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.73
Rot. Bonds3

About 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole

2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 4773915) has the molecular formula C19H10F3N5O2 and a molecular weight of 397.32 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID4773915
Molecular FormulaC19H10F3N5O2
Molecular Weight397.32 g/mol
Exact Mass397.08
IUPAC Name2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2ccco2)nc2c(-c3nnc(-c4ccccc4)o3)cnn12
InChIInChI=1S/C19H10F3N5O2/c20-19(21,22)15-9-13(14-7-4-8-28-14)24-16-12(10-23-27(15)16)18-26-25-17(29-18)11-5-2-1-3-6-11/h1-10H
InChIKeyXPBUKHIITKPGCD-UHFFFAOYSA-N
XLogP4.73
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole (CID 4773915) is 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole is FC(F)(F)c1cc(-c2ccco2)nc2c(-c3nnc(-c4ccccc4)o3)cnn12.
What is the InChIKey of 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is XPBUKHIITKPGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5O2/c20-19(21,22)15-9-13(14-7-4-8-28-14)24-16-12(10-23-27(15)16)18-26-25-17(29-18)11-5-2-1-3-6-11/h1-10H.
What are the key properties of 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole?
2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 397.32 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 4773915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).