2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

C19H20N4O4S — CID 92575390

IUPAC2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C19H20N4O4S/c24-28(25,13-12-26-16-7-2-1-3-8-16)23-11-5-9-17(23)19-22-21-18(27-19)15-6-4-10-20-14-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1
InChIKeyBRVOURNGEJTMML-KRWDZBQOSA-N
MW400.46 g/mol
LogP2.68
Rot. Bonds7

About 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 92575390) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID92575390
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESO=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1nnc(-c2cccnc2)o1
InChIInChI=1S/C19H20N4O4S/c24-28(25,13-12-26-16-7-2-1-3-8-16)23-11-5-9-17(23)19-22-21-18(27-19)15-6-4-10-20-14-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1
InChIKeyBRVOURNGEJTMML-KRWDZBQOSA-N
XLogP2.68
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124958297
6-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyridin-3-amine
CID 95813435
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110236000
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
4-(2,3-dimethylphenoxy)-1-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]butan-1-one
CID 110082676
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 124952572
2-[(3S)-1-(cyclohexylmethyl)piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 95849758
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110082680
2-(1-benzylsulfonylpyrrolidin-2-yl)pyrazine
CID 110096230
2-(4-propoxyphenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 3169936
2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 110243034
2-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92569570

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 92575390) is 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is O=S(=O)(CCOc1ccccc1)N1CCC[C@H]1c1nnc(-c2cccnc2)o1.
What is the InChIKey of 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is BRVOURNGEJTMML-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-28(25,13-12-26-16-7-2-1-3-8-16)23-11-5-9-17(23)19-22-21-18(27-19)15-6-4-10-20-14-15/h1-4,6-8,10,14,17H,5,9,11-13H2/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 400.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2-phenoxyethylsulfonyl)pyrrolidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 92575390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).