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

C18H18N4O4S — CID 7893131

IUPAC1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O4S/c23-17-9-8-15(27(24,25)22-10-4-5-11-22)12-21(17)13-16-19-18(20-26-16)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyKVVQIXUXDYJYKY-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.73
Rot. Bonds5

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

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (PubChem CID 7893131) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
PubChem CID7893131
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC Name1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
SMILESO=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C18H18N4O4S/c23-17-9-8-15(27(24,25)22-10-4-5-11-22)12-21(17)13-16-19-18(20-26-16)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2
InChIKeyKVVQIXUXDYJYKY-UHFFFAOYSA-N
XLogP1.73
TPSA98.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
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5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
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5-[(3-methylphenoxy)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one (CID 7893131) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is O=c1ccc(S(=O)(=O)N2CCCC2)cn1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
The InChIKey is KVVQIXUXDYJYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-17-9-8-15(27(24,25)22-10-4-5-11-22)12-21(17)13-16-19-18(20-26-16)14-6-2-1-3-7-14/h1-3,6-9,12H,4-5,10-11,13H2.
What are the key properties of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one?
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one has a molecular weight of 386.43 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one is sourced from PubChem (CID 7893131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).