1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

C19H20N4O5S — CID 71794007

IUPAC1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCOc1ccccc1-c1nc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)no1
InChIInChI=1S/C19H20N4O5S/c1-27-15-8-3-2-7-14(15)18-20-17(21-28-18)13-22-10-6-9-16(19(22)24)29(25,26)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyJMWACXQQVTUQSG-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.74
Rot. Bonds6

About 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one

1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 71794007) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID71794007
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESCOc1ccccc1-c1nc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)no1
InChIInChI=1S/C19H20N4O5S/c1-27-15-8-3-2-7-14(15)18-20-17(21-28-18)13-22-10-6-9-16(19(22)24)29(25,26)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3
InChIKeyJMWACXQQVTUQSG-UHFFFAOYSA-N
XLogP1.74
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 71794007) is 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is COc1ccccc1-c1nc(Cn2cccc(S(=O)(=O)N3CCCC3)c2=O)no1.
What is the InChIKey of 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is JMWACXQQVTUQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c1-27-15-8-3-2-7-14(15)18-20-17(21-28-18)13-22-10-6-9-16(19(22)24)29(25,26)23-11-4-5-12-23/h2-3,6-10H,4-5,11-13H2,1H3.
What are the key properties of 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 416.46 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 71794007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).