2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole

C16H10F2N4O2S — CID 170733979

IUPAC2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)o3)s2)o1
InChIInChI=1S/C16H10F2N4O2S/c17-13(18)16-22-21-15(24-16)11-7-6-10(25-11)8-12-19-20-14(23-12)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyIXNQMERRGPQWGD-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.38
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole (PubChem CID 170733979) has the molecular formula C16H10F2N4O2S and a molecular weight of 360.35 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole
PubChem CID170733979
Molecular FormulaC16H10F2N4O2S
Molecular Weight360.35 g/mol
Exact Mass360.05
IUPAC Name2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)o3)s2)o1
InChIInChI=1S/C16H10F2N4O2S/c17-13(18)16-22-21-15(24-16)11-7-6-10(25-11)8-12-19-20-14(23-12)9-4-2-1-3-5-9/h1-7,13H,8H2
InChIKeyIXNQMERRGPQWGD-UHFFFAOYSA-N
XLogP4.38
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole (CID 170733979) is 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cc3nnc(-c4ccccc4)o3)s2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole?
The InChIKey is IXNQMERRGPQWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O2S/c17-13(18)16-22-21-15(24-16)11-7-6-10(25-11)8-12-19-20-14(23-12)9-4-2-1-3-5-9/h1-7,13H,8H2.
What are the key properties of 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole has a molecular weight of 360.35 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]thiophen-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 170733979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).