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

C17H17N5O4S — CID 92596398

IUPAC2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1
InChIInChI=1S/C17H17N5O4S/c1-25-13-2-4-14(5-3-13)27(23,24)22-9-6-12(11-22)16-20-21-17(26-16)15-10-18-7-8-19-15/h2-5,7-8,10,12H,6,9,11H2,1H3/t12-/m0/s1
InChIKeyHAYWBMDXULLJBZ-LBPRGKRZSA-N
MW387.42 g/mol
LogP1.71
Rot. Bonds5

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

2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (PubChem CID 92596398) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
PubChem CID92596398
Molecular FormulaC17H17N5O4S
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
SMILESCOc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1
InChIInChI=1S/C17H17N5O4S/c1-25-13-2-4-14(5-3-13)27(23,24)22-9-6-12(11-22)16-20-21-17(26-16)15-10-18-7-8-19-15/h2-5,7-8,10,12H,6,9,11H2,1H3/t12-/m0/s1
InChIKeyHAYWBMDXULLJBZ-LBPRGKRZSA-N
XLogP1.71
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
2-(4-methoxyphenyl)-5-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137795
2-pyrazin-2-yl-5-[(3S)-1-quinolin-8-ylsulfonylpiperidin-3-yl]-1,3,4-oxadiazole
CID 92572274
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
2-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 99963344
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 99963715
2-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 132944448
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99963520
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 132675747
5-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-1H-pyrazole
CID 95845003

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole (CID 92596398) is 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is COc1ccc(S(=O)(=O)N2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1.
What is the InChIKey of 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
The InChIKey is HAYWBMDXULLJBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-25-13-2-4-14(5-3-13)27(23,24)22-9-6-12(11-22)16-20-21-17(26-16)15-10-18-7-8-19-15/h2-5,7-8,10,12H,6,9,11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole?
2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole has a molecular weight of 387.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92596398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).