2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

C21H14F2N2O3S — CID 1362676

IUPAC2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1)C(F)F
InChIInChI=1S/C21H14F2N2O3S/c22-21(23)29(26,27)18-12-10-17(11-13-18)20-25-24-19(28-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H
InChIKeyRIBZBGGYTPEEDS-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.07
Rot. Bonds5

About 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 1362676) has the molecular formula C21H14F2N2O3S and a molecular weight of 412.42 g/mol. Its IUPAC name is 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
PubChem CID1362676
Molecular FormulaC21H14F2N2O3S
Molecular Weight412.42 g/mol
Exact Mass412.07
IUPAC Name2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1)C(F)F
InChIInChI=1S/C21H14F2N2O3S/c22-21(23)29(26,27)18-12-10-17(11-13-18)20-25-24-19(28-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H
InChIKeyRIBZBGGYTPEEDS-UHFFFAOYSA-N
XLogP5.07
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-(3-chlorophenyl)-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-1,3,4-oxadiazole
CID 133427660
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
CID 136857420
CID 136857420
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
2-(benzenesulfonylmethyl)-5-phenyl-1,3,4-oxadiazole
CID 42632398
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 1362676) is 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is O=S(=O)(c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1)C(F)F.
What is the InChIKey of 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
The InChIKey is RIBZBGGYTPEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O3S/c22-21(23)29(26,27)18-12-10-17(11-13-18)20-25-24-19(28-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,21H.
What are the key properties of 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?
2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 412.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethylsulfonyl)phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1362676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).