2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole

C11H6F2N4OS — CID 162351167

IUPAC2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(-c3cccs3)nc2)o1
InChIInChI=1S/C11H6F2N4OS/c12-8(13)11-17-16-10(18-11)6-4-14-9(15-5-6)7-2-1-3-19-7/h1-5,8H
InChIKeyRBJGGTLZBJNQFD-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.19
Rot. Bonds3

About 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole

2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 162351167) has the molecular formula C11H6F2N4OS and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID162351167
Molecular FormulaC11H6F2N4OS
Molecular Weight280.26 g/mol
Exact Mass280.02
IUPAC Name2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(-c3cccs3)nc2)o1
InChIInChI=1S/C11H6F2N4OS/c12-8(13)11-17-16-10(18-11)6-4-14-9(15-5-6)7-2-1-3-19-7/h1-5,8H
InChIKeyRBJGGTLZBJNQFD-UHFFFAOYSA-N
XLogP3.19
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 162351167) is 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(-c3cccs3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is RBJGGTLZBJNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N4OS/c12-8(13)11-17-16-10(18-11)6-4-14-9(15-5-6)7-2-1-3-19-7/h1-5,8H.
What are the key properties of 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 280.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(2-thiophen-2-ylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 162351167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).