5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane

C10H11FN2O3S — CID 159187156

IUPAC5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane
SMILESCS(C)(=O)=O.[18F]c1onnc1-c1ccccc1
InChIInChI=1S/C8H5FN2O.C2H6O2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-2H3/i9-1;
InChIKeyKNPZWNMUJWBRNA-UFZKRULUSA-N
MW257.28 g/mol
LogP1.54
Rot. Bonds1

About 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane

5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane (PubChem CID 159187156) has the molecular formula C10H11FN2O3S and a molecular weight of 257.28 g/mol. Its IUPAC name is 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane.

Molecular Properties

Compound Name5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane
PubChem CID159187156
Molecular FormulaC10H11FN2O3S
Molecular Weight257.28 g/mol
Exact Mass257.05
IUPAC Name5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane
SMILESCS(C)(=O)=O.[18F]c1onnc1-c1ccccc1
InChIInChI=1S/C8H5FN2O.C2H6O2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-2H3/i9-1;
InChIKeyKNPZWNMUJWBRNA-UFZKRULUSA-N
XLogP1.54
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyliodanuidyl-4-phenyloxadiazole
CID 149109591
5-methylsulfonyl-4-phenylthiadiazole
CID 54573949
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
5-[(4-fluorophenyl)-methylsulfonylmethyl]-2,4-diphenyl-1,3-oxazole
CID 71713720
5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
CID 21435665
4-methyl-5-phenyloxadiazole
CID 54496917
5-(difluoromethyl)-4-(4-methylsulfonylphenyl)-3-phenyl-1,2-oxazole
CID 10154821
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enal
CID 22058240
(E)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)prop-2-enoic acid
CID 170872194
1,3-difluoro-2-methylsulfonyl-5-phenylbenzene
CID 123960607
2,3,5,8-tetraphenylpyrazino[2,3-d]pyridazine
CID 134914577

Frequently Asked Questions

What is the IUPAC name of 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane?
The IUPAC name of 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane (CID 159187156) is 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane.
What is the SMILES notation for 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane?
The canonical SMILES for 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane is CS(C)(=O)=O.[18F]c1onnc1-c1ccccc1.
What is the InChIKey of 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane?
The InChIKey is KNPZWNMUJWBRNA-UFZKRULUSA-N. The full InChI is InChI=1S/C8H5FN2O.C2H6O2S/c9-8-7(10-11-12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;1-2H3/i9-1;.
What are the key properties of 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane?
5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane has a molecular weight of 257.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(18F)fluoro-4-phenyloxadiazole;methylsulfonylmethane is sourced from PubChem (CID 159187156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).