2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

C16H13F2N5O3S — CID 92568226

IUPAC2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C16H13F2N5O3S/c17-12-2-1-11(7-13(12)18)27(24,25)23-6-3-10(9-23)15-21-22-16(26-15)14-8-19-4-5-20-14/h1-2,4-5,7-8,10H,3,6,9H2/t10-/m0/s1
InChIKeyVOSZBQWKESFBFJ-JTQLQIEISA-N
MW393.38 g/mol
LogP1.98
Rot. Bonds4

About 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole

2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 92568226) has the molecular formula C16H13F2N5O3S and a molecular weight of 393.38 g/mol. Its IUPAC name is 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID92568226
Molecular FormulaC16H13F2N5O3S
Molecular Weight393.38 g/mol
Exact Mass393.07
IUPAC Name2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1
InChIInChI=1S/C16H13F2N5O3S/c17-12-2-1-11(7-13(12)18)27(24,25)23-6-3-10(9-23)15-21-22-16(26-15)14-8-19-4-5-20-14/h1-2,4-5,7-8,10H,3,6,9H2/t10-/m0/s1
InChIKeyVOSZBQWKESFBFJ-JTQLQIEISA-N
XLogP1.98
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92596398
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570
2-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569569
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 110104922
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 4644145
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
CID 95844720

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 92568226) is 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is O=S(=O)(c1ccc(F)c(F)c1)N1CC[C@H](c2nnc(-c3cnccn3)o2)C1.
What is the InChIKey of 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is VOSZBQWKESFBFJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13F2N5O3S/c17-12-2-1-11(7-13(12)18)27(24,25)23-6-3-10(9-23)15-21-22-16(26-15)14-8-19-4-5-20-14/h1-2,4-5,7-8,10H,3,6,9H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 393.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92568226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).